TL;DR: Phosphinothioic acid, di-1-piperidinyl-, S-methyl ester (CAS 137090-15-4) is a chemical compound with molecular formula C11H23N2OPS and molecular weight 262.12686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[methylsulfanyl(piperidin-1-yl)phosphoryl]piperidine
Also Known As: 1-(methylsulfanyl-(1-piperidyl)phosphoryl)piperidine, Phosphinothioic acid, di-1-piperidinyl-, S-methyl ester, S-Methyl di(piperidin-1-yl)phosphinothioate, 1-[methylsulfanyl(piperidin-1-yl)phosphoryl]piperidine
| Molecular Formula | C11H23N2OPS |
| Molecular Weight | 262.12686 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.12686 Da |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
| SMILES | CSP(=O)(N1CCCCC1)N2CCCCC2 |
| InChIKey | UAEQYONNDBIOEH-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphinothioic acid, di-1-piperidinyl-, S-methyl ester. With a topological polar surface area (TPSA) of 48.9 Ų, Phosphinothioic acid, di-1-piperidinyl-, S-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphinothioic acid, di-1-piperidinyl-, S-methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphinothioic acid, di-1-piperidinyl-, S-methyl ester is 137090-15-4.
The molecular formula of Phosphinothioic acid, di-1-piperidinyl-, S-methyl ester is C11H23N2OPS.
The molecular weight of Phosphinothioic acid, di-1-piperidinyl-, S-methyl ester is 262.12686 g/mol.
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