N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide

C13H15F3N2OS — CID 43700489

IUPACN-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1SC(F)(F)F)C1CCCNC1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)20-11-6-2-1-5-10(11)18-12(19)9-4-3-7-17-8-9/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19)
InChIKeyTYEHEWVLCSXLKL-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.24
Rot. Bonds3

About N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide

N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide (PubChem CID 43700489) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
PubChem CID43700489
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1SC(F)(F)F)C1CCCNC1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)20-11-6-2-1-5-10(11)18-12(19)9-4-3-7-17-8-9/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19)
InChIKeyTYEHEWVLCSXLKL-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119706959
(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104912846
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119798016
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119798015
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119706973

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide (CID 43700489) is N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1SC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
The InChIKey is TYEHEWVLCSXLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c14-13(15,16)20-11-6-2-1-5-10(11)18-12(19)9-4-3-7-17-8-9/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19).
What are the key properties of N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide has a molecular weight of 304.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43700489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).