TL;DR: 2-Pyrrolidinone, 5-ethoxy-1-(3-thienylsulfonyl)- (CAS 111711-67-2) is a chemical compound with molecular formula C10H13NO4S2 and molecular weight 275.0286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethoxy-1-thiophen-3-ylsulfonylpyrrolidin-2-one
Also Known As: 5-Ethoxy-1-(3-thienylsulfonyl)-2-pyrrolidinone, 2-Pyrrolidinone, 5-ethoxy-1-(3-thienylsulfonyl)-, 5-ethoxy-1-[(3-thienyl)-sulphonyl]-2-pyrrolidinone, 5-Ethoxy-1-(3-thienylsulfonyl)pyrrolidin-2-one, 5-ethoxy-1-thiophen-3-ylsulfonylpyrrolidin-2-one
| Molecular Formula | C10H13NO4S2 |
| Molecular Weight | 275.0286 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0286 Da |
| Heavy Atoms | 17 |
| Complexity | 390.0 |
| SMILES | CCOC1CCC(=O)N1S(=O)(=O)C2=CSC=C2 |
| InChIKey | XXDYMSGLQVUDLM-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 5-ethoxy-1-(3-thienylsulfonyl)-. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrrolidinone, 5-ethoxy-1-(3-thienylsulfonyl)-. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 5-ethoxy-1-(3-thienylsulfonyl)- has 0 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 2-Pyrrolidinone, 5-ethoxy-1-(3-thienylsulfonyl)- is 111711-67-2.
The molecular formula of 2-Pyrrolidinone, 5-ethoxy-1-(3-thienylsulfonyl)- is C10H13NO4S2.
The molecular weight of 2-Pyrrolidinone, 5-ethoxy-1-(3-thienylsulfonyl)- is 275.0286 g/mol.
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