5-methyl-2-(trifluoromethylsulfanyl)piperidine

C7H12F3NS — CID 176942169

IUPAC5-methyl-2-(trifluoromethylsulfanyl)piperidine
SMILESCC1CCC(SC(F)(F)F)NC1
InChIInChI=1S/C7H12F3NS/c1-5-2-3-6(11-4-5)12-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyNSJPYGXVGMNCCY-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.59
Rot. Bonds1

About 5-methyl-2-(trifluoromethylsulfanyl)piperidine

5-methyl-2-(trifluoromethylsulfanyl)piperidine (PubChem CID 176942169) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethylsulfanyl)piperidine.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethylsulfanyl)piperidine
PubChem CID176942169
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name5-methyl-2-(trifluoromethylsulfanyl)piperidine
SMILESCC1CCC(SC(F)(F)F)NC1
InChIInChI=1S/C7H12F3NS/c1-5-2-3-6(11-4-5)12-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyNSJPYGXVGMNCCY-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-(trifluoromethylsulfanyl)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 5-methyl-2-(trifluoromethylsulfanyl)piperidine?
The IUPAC name of 5-methyl-2-(trifluoromethylsulfanyl)piperidine (CID 176942169) is 5-methyl-2-(trifluoromethylsulfanyl)piperidine.
What is the SMILES notation for 5-methyl-2-(trifluoromethylsulfanyl)piperidine?
The canonical SMILES for 5-methyl-2-(trifluoromethylsulfanyl)piperidine is CC1CCC(SC(F)(F)F)NC1.
What is the InChIKey of 5-methyl-2-(trifluoromethylsulfanyl)piperidine?
The InChIKey is NSJPYGXVGMNCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c1-5-2-3-6(11-4-5)12-7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 5-methyl-2-(trifluoromethylsulfanyl)piperidine?
5-methyl-2-(trifluoromethylsulfanyl)piperidine has a molecular weight of 199.24 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethylsulfanyl)piperidine is sourced from PubChem (CID 176942169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).