N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride

C13H19ClN2OS — CID 119263530

IUPACN-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCSc1ccccc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-12-5-3-2-4-11(12)15-13(16)10-6-8-14-9-7-10;/h2-5,10,14H,6-9H2,1H3,(H,15,16);1H
InChIKeyNHLMUPOMFPYSGS-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.77
Rot. Bonds3

About N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride

N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119263530) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119263530
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCSc1ccccc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-12-5-3-2-4-11(12)15-13(16)10-6-8-14-9-7-10;/h2-5,10,14H,6-9H2,1H3,(H,15,16);1H
InChIKeyNHLMUPOMFPYSGS-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119674755
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119798015
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119798016
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119340819
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119691939
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride (CID 119263530) is N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride is CSc1ccccc1NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is NHLMUPOMFPYSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c1-17-12-5-3-2-4-11(12)15-13(16)10-6-8-14-9-7-10;/h2-5,10,14H,6-9H2,1H3,(H,15,16);1H.
What are the key properties of N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride?
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119263530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).