3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide

C7H13F3N2O2S — CID 22008409

IUPAC3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c1-6-3-2-4-12(5-6)15(13,14)11-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyLAGGIXATLGPOSV-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.07
Rot. Bonds2

About 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide

3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide (PubChem CID 22008409) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide
PubChem CID22008409
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c1-6-3-2-4-12(5-6)15(13,14)11-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyLAGGIXATLGPOSV-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide (CID 22008409) is 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide?
The InChIKey is LAGGIXATLGPOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-6-3-2-4-12(5-6)15(13,14)11-7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide?
3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide has a molecular weight of 246.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 22008409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).