(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

C14H21ClN2OS — CID 91645523

IUPAC(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCSc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-18-12-7-5-11(6-8-12)10-16-14(17)13-4-2-3-9-15-13;/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyLZCJTSJTKSHWMA-ZOWNYOTGSA-N
MW300.85 g/mol
LogP2.59
Rot. Bonds4

About (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 91645523) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID91645523
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCSc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-18-12-7-5-11(6-8-12)10-16-14(17)13-4-2-3-9-15-13;/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyLZCJTSJTKSHWMA-ZOWNYOTGSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119283556
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794499
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 91645523) is (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is CSc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1.Cl.
What is the InChIKey of (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is LZCJTSJTKSHWMA-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-18-12-7-5-11(6-8-12)10-16-14(17)13-4-2-3-9-15-13;/h5-8,13,15H,2-4,9-10H2,1H3,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 91645523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).