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

C8H15F3N2O3S — CID 102959046

IUPAC3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC(F)(F)F)CC1O
InChIInChI=1S/C8H15F3N2O3S/c1-6-2-3-13(4-7(6)14)17(15,16)12-5-8(9,10)11/h6-7,12,14H,2-5H2,1H3
InChIKeyYBACINSTOOGYNH-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.09
Rot. Bonds3

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

3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 102959046) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID102959046
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC(F)(F)F)CC1O
InChIInChI=1S/C8H15F3N2O3S/c1-6-2-3-13(4-7(6)14)17(15,16)12-5-8(9,10)11/h6-7,12,14H,2-5H2,1H3
InChIKeyYBACINSTOOGYNH-UHFFFAOYSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 123399335
3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 123502959
(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 126716215
(5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 126716235
(3R)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 144175368
(3S,4R)-1-(difluoromethylsulfonyl)-4-methylpiperidin-3-ol
CID 167090116
(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
CID 176688190
4-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65729401
4-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
CID 65732810
N-ethyl-4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65735106
4-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65735886
4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
CID 65740148

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 102959046) is 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCC(F)(F)F)CC1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is YBACINSTOOGYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-6-2-3-13(4-7(6)14)17(15,16)12-5-8(9,10)11/h6-7,12,14H,2-5H2,1H3.
What are the key properties of 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 276.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 102959046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).