N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide

C14H17F3N2OS — CID 43704741

IUPACN-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)C1CCCCN1
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)9-21-12-7-2-1-5-10(12)19-13(20)11-6-3-4-8-18-11/h1-2,5,7,11,18H,3-4,6,8-9H2,(H,19,20)
InChIKeyZYGWYBCJPWVTTI-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide

N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide (PubChem CID 43704741) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide
PubChem CID43704741
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC NameN-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)C1CCCCN1
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)9-21-12-7-2-1-5-10(12)19-13(20)11-6-3-4-8-18-11/h1-2,5,7,11,18H,3-4,6,8-9H2,(H,19,20)
InChIKeyZYGWYBCJPWVTTI-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104912846
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43704766
(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 103795387
(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
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
CID 64563986

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide (CID 43704741) is N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide is O=C(Nc1ccccc1SCC(F)(F)F)C1CCCCN1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide?
The InChIKey is ZYGWYBCJPWVTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c15-14(16,17)9-21-12-7-2-1-5-10(12)19-13(20)11-6-3-4-8-18-11/h1-2,5,7,11,18H,3-4,6,8-9H2,(H,19,20).
What are the key properties of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide?
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 43704741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).