TL;DR: N-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucine (CAS 1212363-63-7) is a chemical compound with molecular formula C18H26N2O5S and molecular weight 382.15625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-4-methylpentanoic acid
Also Known As: N-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucine, (S)-4-methyl-2-(1-(phenylsulfonyl)piperidine-4-carboxamido)pentanoic acid, (2S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-4-methyl-pentanoic Acid, (2S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-4-methylpentanoic acid
| Molecular Formula | C18H26N2O5S |
| Molecular Weight | 382.15625 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.15625 Da |
| Heavy Atoms | 26 |
| Complexity | 585.0 |
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | WTBHDQJNZUKLLQ-INIZCTEOSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucine. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucine. Following Lipinski's Rule of Five, N-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucine is 1212363-63-7.
The molecular formula of N-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucine is C18H26N2O5S.
The molecular weight of N-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucine is 382.15625 g/mol.
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