4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine

C9H16F3NO2S — CID 71114479

IUPAC4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO2S/c1-8-2-5-13(6-3-8)16(14,15)7-4-9(10,11)12/h8H,2-7H2,1H3
InChIKeyZADCQYSXJGFSTD-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.00
Rot. Bonds3

About 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine

4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine (PubChem CID 71114479) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
PubChem CID71114479
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO2S/c1-8-2-5-13(6-3-8)16(14,15)7-4-9(10,11)12/h8H,2-7H2,1H3
InChIKeyZADCQYSXJGFSTD-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine 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 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine?
The IUPAC name of 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine (CID 71114479) is 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine.
What is the SMILES notation for 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine?
The canonical SMILES for 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine is CC1CCN(S(=O)(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine?
The InChIKey is ZADCQYSXJGFSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-8-2-5-13(6-3-8)16(14,15)7-4-9(10,11)12/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine?
4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine has a molecular weight of 259.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine is sourced from PubChem (CID 71114479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).