N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride

C13H19ClN2OS — CID 119262082

IUPACN-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCSc1cccc(NC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12;/h4-6,9,12,14H,2-3,7-8H2,1H3,(H,15,16);1H
InChIKeyYZNMPOFMHGKIAH-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.91
Rot. Bonds3

About N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride

N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119262082) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119262082
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCSc1cccc(NC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12;/h4-6,9,12,14H,2-3,7-8H2,1H3,(H,15,16);1H
InChIKeyYZNMPOFMHGKIAH-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
CID 119883129
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride (CID 119262082) is N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride is CSc1cccc(NC(=O)C2CCCCN2)c1.Cl.
What is the InChIKey of N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is YZNMPOFMHGKIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12;/h4-6,9,12,14H,2-3,7-8H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride?
N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119262082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).