3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

C8H13F3N2O3S — CID 114808689

IUPAC3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(F)(F)F)CCC1=O
InChIInChI=1S/C8H13F3N2O3S/c1-6-4-13(3-2-7(6)14)17(15,16)12-5-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyLKAZKBACGRWAPH-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.29
Rot. Bonds3

About 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 114808689) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID114808689
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(F)(F)F)CCC1=O
InChIInChI=1S/C8H13F3N2O3S/c1-6-4-13(3-2-7(6)14)17(15,16)12-5-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyLKAZKBACGRWAPH-UHFFFAOYSA-N
XLogP0.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide
CID 114808687
(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 104978203
3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 104978049
3-methyl-1-methylsulfonylpiperidin-4-one
CID 67386424
3-methyl-1-propylsulfonylpiperidin-4-one
CID 114500092
(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 102984427
N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide
CID 114500160
5-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114810850
4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114803126
(3S)-3-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-one
CID 129445742
3-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 102776359
2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114811162

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 114808689) is 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is CC1CN(S(=O)(=O)NCC(F)(F)F)CCC1=O.
What is the InChIKey of 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is LKAZKBACGRWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-6-4-13(3-2-7(6)14)17(15,16)12-5-8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 274.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114808689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).