TL;DR: N-(1-Methyl-2-piperidinylidene)-L-cysteine (CAS 105099-12-5) is a chemical compound with molecular formula C9H16N2O2S and molecular weight 216.09325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(1-methylpiperidin-2-ylidene)amino]-3-sulfanylpropanoic acid
Also Known As: N-(1-Methyl-2-piperidinylidene)-L-cysteine, L-Cysteine, N-(1-methyl-2-piperidinylidene)-, L-Cysteine,N-(1-methyl-2-piperidinylidene)-, (2R)-2-[(1-methylpiperidin-2-ylidene)amino]-3-sulfanylpropanoic acid, BRN 5526858
| Molecular Formula | C9H16N2O2S |
| Molecular Weight | 216.09325 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.09325 Da |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
| SMILES | CN1CCCCC1=N[C@@H](CS)C(=O)O |
| InChIKey | FMIMPBWKZHVTMJ-ZETCQYMHSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methyl-2-piperidinylidene)-L-cysteine. With a topological polar surface area (TPSA) of 53.9 Ų, N-(1-Methyl-2-piperidinylidene)-L-cysteine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Methyl-2-piperidinylidene)-L-cysteine has 2 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 N-(1-Methyl-2-piperidinylidene)-L-cysteine is 105099-12-5.
The molecular formula of N-(1-Methyl-2-piperidinylidene)-L-cysteine is C9H16N2O2S.
The molecular weight of N-(1-Methyl-2-piperidinylidene)-L-cysteine is 216.09325 g/mol.
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