4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

C9H17F3N2O3S — CID 106837145

IUPAC4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC(O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O3S/c1-7(15)8-2-4-14(5-3-8)18(16,17)13-6-9(10,11)12/h7-8,13,15H,2-6H2,1H3
InChIKeyAWHFVXWUELBCHA-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.48
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 106837145) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID106837145
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCC(O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O3S/c1-7(15)8-2-4-14(5-3-8)18(16,17)13-6-9(10,11)12/h7-8,13,15H,2-6H2,1H3
InChIKeyAWHFVXWUELBCHA-UHFFFAOYSA-N
XLogP0.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402269
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
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-(3-hydroxypropyl)-N-methyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 65732815
N-ethyl-4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65735106
4-(hydroxymethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65735504
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 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 106837145) is 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is CC(O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is AWHFVXWUELBCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-7(15)8-2-4-14(5-3-8)18(16,17)13-6-9(10,11)12/h7-8,13,15H,2-6H2,1H3.
What are the key properties of 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 290.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106837145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).