(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide

C14H17F3N2OS — CID 120620303

IUPAC(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2SC(F)(F)F)CCN1
InChIInChI=1S/C14H17F3N2OS/c1-9-8-10(6-7-18-9)13(20)19-11-4-2-3-5-12(11)21-14(15,16)17/h2-5,9-10,18H,6-8H2,1H3,(H,19,20)/t9-,10-/m0/s1
InChIKeyRJMKJHQMNBESPS-UWVGGRQHSA-N
MW318.36 g/mol
LogP3.63
Rot. Bonds3

About (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide (PubChem CID 120620303) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
PubChem CID120620303
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2SC(F)(F)F)CCN1
InChIInChI=1S/C14H17F3N2OS/c1-9-8-10(6-7-18-9)13(20)19-11-4-2-3-5-12(11)21-14(15,16)17/h2-5,9-10,18H,6-8H2,1H3,(H,19,20)/t9-,10-/m0/s1
InChIKeyRJMKJHQMNBESPS-UWVGGRQHSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120622975
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630815
N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43700489
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119706959
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104912846
(2S,4S)-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619560
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 78889326
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide (CID 120620303) is (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2ccccc2SC(F)(F)F)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
The InChIKey is RJMKJHQMNBESPS-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c1-9-8-10(6-7-18-9)13(20)19-11-4-2-3-5-12(11)21-14(15,16)17/h2-5,9-10,18H,6-8H2,1H3,(H,19,20)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120620303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).