N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide

C13H17ClN2OS — CID 119317112

IUPACN-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1ccc(NC(=O)C2CCNCC2)cc1Cl
InChIInChI=1S/C13H17ClN2OS/c1-18-12-3-2-10(8-11(12)14)16-13(17)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,16,17)
InChIKeyYISIUSTYHVWNKF-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.00
Rot. Bonds3

About N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide

N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 119317112) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID119317112
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1ccc(NC(=O)C2CCNCC2)cc1Cl
InChIInChI=1S/C13H17ClN2OS/c1-18-12-3-2-10(8-11(12)14)16-13(17)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,16,17)
InChIKeyYISIUSTYHVWNKF-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-methylsulfanylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976871
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470
N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119310188
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702575
N-(3-chloro-4-methylsulfanylphenyl)-5-ethyloxolane-2-carboxamide
CID 71854968
N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119315438
N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pyrrolidine-3-carboxamide
CID 119759000

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide (CID 119317112) is N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide is CSc1ccc(NC(=O)C2CCNCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is YISIUSTYHVWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-18-12-3-2-10(8-11(12)14)16-13(17)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide?
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 284.81 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119317112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).