2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone

C14H17F3N2O3S — CID 67479866

IUPAC2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)11-3-1-2-4-12(11)23(21,22)10-5-7-19(8-6-10)13(20)9-18/h1-4,10H,5-9,18H2
InChIKeyZQRZRBRWNDKWCF-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone

2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone (PubChem CID 67479866) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone
PubChem CID67479866
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)11-3-1-2-4-12(11)23(21,22)10-5-7-19(8-6-10)13(20)9-18/h1-4,10H,5-9,18H2
InChIKeyZQRZRBRWNDKWCF-UHFFFAOYSA-N
XLogP1.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 67480079
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 69167156
1-[4-(benzenesulfonyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90589120
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 63766584
2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
CID 106585400
(1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
CID 70194940
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
lithium;hydride;4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentene-1-carboxylic acid
CID 173031965
3-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-one
CID 106584689
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone (CID 67479866) is 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone is NCC(=O)N1CCC(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone?
The InChIKey is ZQRZRBRWNDKWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c15-14(16,17)11-3-1-2-4-12(11)23(21,22)10-5-7-19(8-6-10)13(20)9-18/h1-4,10H,5-9,18H2.
What are the key properties of 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone?
2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone has a molecular weight of 350.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone is sourced from PubChem (CID 67479866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).