TL;DR: Acetamide, N-(3-(dimethylamino)propyl)-N-(2-nitro-3-thienyl)-, monohydrochloride (CAS 122777-79-1) is a chemical compound with molecular formula C11H18ClN3O3S and molecular weight 307.07574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(dimethylamino)propyl]-N-(2-nitrothiophen-3-yl)acetamide;hydrochloride
Also Known As: Acetamide, N-(3-(dimethylamino)propyl)-N-(2-nitro-3-thienyl)-, monohydrochloride, N-(3-(Dimethylamino)propyl)-N-(2-nitro-3-thienyl)acetamide hydrochloride, N-[3-(dimethylamino)propyl]-N-(2-nitrothiophen-3-yl)acetamide hydrochloride, N-[3-(Dimethylamino)propyl]-N-(2-nitrothiophen-3-yl)acetamide--hydrogen chloride (1/1)
| Molecular Formula | C11H18ClN3O3S |
| Molecular Weight | 307.07574 g/mol |
| XLogP | 2.3827 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.07574 Da |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
| SMILES | CC(=O)N(CCCN(C)C)C1=C(SC=C1)[N+](=O)[O-].Cl |
| InChIKey | CHPDRKZAKQFCIF-UHFFFAOYSA-N |
The XLogP value of 2.3827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-(3-(dimethylamino)propyl)-N-(2-nitro-3-thienyl)-, monohydrochloride. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(3-(dimethylamino)propyl)-N-(2-nitro-3-thienyl)-, monohydrochloride. Following Lipinski's Rule of Five, Acetamide, N-(3-(dimethylamino)propyl)-N-(2-nitro-3-thienyl)-, monohydrochloride has 1 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 Acetamide, N-(3-(dimethylamino)propyl)-N-(2-nitro-3-thienyl)-, monohydrochloride is 122777-79-1.
The molecular formula of Acetamide, N-(3-(dimethylamino)propyl)-N-(2-nitro-3-thienyl)-, monohydrochloride is C11H18ClN3O3S.
The molecular weight of Acetamide, N-(3-(dimethylamino)propyl)-N-(2-nitro-3-thienyl)-, monohydrochloride is 307.07574 g/mol.
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