(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide

C13H15F3N2OS — CID 104912846

IUPAC(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1SC(F)(F)F)[C@H]1CCCCN1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)20-11-7-2-1-5-9(11)18-12(19)10-6-3-4-8-17-10/h1-2,5,7,10,17H,3-4,6,8H2,(H,18,19)/t10-/m1/s1
InChIKeyMIKUNEIBHGLXDF-SNVBAGLBSA-N
MW304.34 g/mol
LogP3.38
Rot. Bonds3

About (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide

(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide (PubChem CID 104912846) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
PubChem CID104912846
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1SC(F)(F)F)[C@H]1CCCCN1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)20-11-7-2-1-5-9(11)18-12(19)10-6-3-4-8-17-10/h1-2,5,7,10,17H,3-4,6,8H2,(H,18,19)/t10-/m1/s1
InChIKeyMIKUNEIBHGLXDF-SNVBAGLBSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 43704741
(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 103795387
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
CID 64563962
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303
N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43700489
N-[4-(trifluoromethylsulfanyl)phenyl]azepane-2-carboxamide
CID 64563218
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
CID 64563985
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119706973

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide (CID 104912846) is (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide is O=C(Nc1ccccc1SC(F)(F)F)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide?
The InChIKey is MIKUNEIBHGLXDF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c14-13(15,16)20-11-7-2-1-5-9(11)18-12(19)10-6-3-4-8-17-10/h1-2,5,7,10,17H,3-4,6,8H2,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide?
(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide has a molecular weight of 304.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 104912846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).