TL;DR: Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride (CAS 122777-92-8) is a chemical compound with molecular formula C10H16ClN3O2S and molecular weight 277.0652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitro-N-(2-pyrrolidin-1-ylethyl)thiophen-3-amine;hydrochloride
Also Known As: N-(2-Nitro-3-thienyl)pyrrolidineethanamine monohydrochloride, Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride, 2-nitro-N-(2-pyrrolidin-1-ylethyl)thiophen-3-amine hydrochloride, 2-nitro-N-(2-pyrrolidin-1-ylethyl)thiophen-3-amine,hydrochloride, 2-Nitro-N-[2-(pyrrolidin-1-yl)ethyl]thiophen-3-amine--hydrogen chloride (1/1)
| Molecular Formula | C10H16ClN3O2S |
| Molecular Weight | 277.0652 g/mol |
| XLogP | 2.5858 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.0652 Da |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
| SMILES | C1CCN(C1)CCNC2=C(SC=C2)[N+](=O)[O-].Cl |
| InChIKey | KIEYQESHMUDSHB-UHFFFAOYSA-N |
The XLogP value of 2.5858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride. Following Lipinski's Rule of Five, Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride is 122777-92-8.
The molecular formula of Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride is C10H16ClN3O2S.
The molecular weight of Pyrrolidineethanamine, N-(2-nitro-3-thienyl)-, monohydrochloride is 277.0652 g/mol.
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