TL;DR: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopropanecarboxamide (CAS 444931-51-5) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.06703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopropanecarboxamide
Also Known As: IFLab1_001073, IDI1_008940, F0317-0044, N-{3-CYANO-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}CYCLOPROPANECARBOXAMIDE, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopropanecarboxamide
| Molecular Formula | C12H12N2OS |
| Molecular Weight | 232.06703 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.06703 Da |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)C3CC3 |
| InChIKey | AOQUBVWQHBJHQC-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopropanecarboxamide. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopropanecarboxamide. Following Lipinski's Rule of Five, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopropanecarboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopropanecarboxamide is 444931-51-5.
The molecular formula of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopropanecarboxamide is C12H12N2OS.
The molecular weight of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopropanecarboxamide is 232.06703 g/mol.
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