N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
TL;DR: N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide (CAS 342780-56-7) is a chemical compound with molecular formula C8H15NO3S and molecular weight 205.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
Also Known As: N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide, N-(1,1-dioxidotetrahydro-3-thienyl)-2-methylpropanamide, AF-399/36980003, N-(1,1-dioxidotetrahydrothiophen-3-yl)isobutyramide, F2545-0016
Technical Specifications
| Molecular Formula | C8H15NO3S |
| Molecular Weight | 205.07727 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.07727 Da |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
| SMILES | CC(C)C(=O)NC1CCS(=O)(=O)C1 |
| InChIKey | CMRCRFRJINUHQR-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
Property Insights of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide is 342780-56-7.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide is C8H15NO3S.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide is 205.07727 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
Yes, CoreyChem provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.