3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

C8H12F3N3O2S — CID 114807917

IUPAC3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESN#CC1CCCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2S/c9-8(10,11)6-13-17(15,16)14-3-1-2-7(4-12)5-14/h7,13H,1-3,5-6H2
InChIKeyLPMVHAOIVIKBGF-UHFFFAOYSA-N
MW271.26 g/mol
LogP0.62
Rot. Bonds3

About 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 114807917) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID114807917
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESN#CC1CCCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2S/c9-8(10,11)6-13-17(15,16)14-3-1-2-7(4-12)5-14/h7,13H,1-3,5-6H2
InChIKeyLPMVHAOIVIKBGF-UHFFFAOYSA-N
XLogP0.62
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 114807917) is 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is N#CC1CCCN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is LPMVHAOIVIKBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c9-8(10,11)6-13-17(15,16)14-3-1-2-7(4-12)5-14/h7,13H,1-3,5-6H2.
What are the key properties of 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114807917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).