![3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one structure](/static/products/7643/76430-88-1.webp)
3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one
TL;DR: 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one (CAS 76430-88-1) is a chemical compound with molecular formula C12H18N2O3S and molecular weight 270.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[3-(dimethylamino)propanoyl]phenyl]methanesulfonamide
Also Known As: N-[4-(3-dimethylaminopropanoyl)phenyl]methanesulfonamide, N-[4-[3-(dimethylamino)propanoyl]phenyl]methanesulfonamide, N-[4-[3-(Dimethylamino)-1-oxopropyl]phenyl]methanesulfonamide, 3-(dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one, Methanesulfonamide, N-[4-[3-(dimethylamino)-1-oxopropyl]phenyl]-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18N2O3S |
| Molecular Weight | 270.10382 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.10382 Da |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
| SMILES | CN(C)CCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C |
| InChIKey | JKHVQIXMUNOFBP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one
Property Insights of 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one?
The CAS number of 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one is 76430-88-1.
What is the molecular formula of 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one?
The molecular formula of 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one is C12H18N2O3S.
What is the molecular weight of 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one?
The molecular weight of 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one is 270.10382 g/mol.
Where can I buy 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one?
You can request a quote for 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(Dimethylamino)-1-{4-[(methylsulfonyl)amino]phenyl}propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.