3-fluoro-4-methyl-1-methylsulfonylpiperidine

C7H14FNO2S — CID 131201244

IUPAC3-fluoro-4-methyl-1-methylsulfonylpiperidine
SMILESCC1CCN(S(C)(=O)=O)CC1F
InChIInChI=1S/C7H14FNO2S/c1-6-3-4-9(5-7(6)8)12(2,10)11/h6-7H,3-5H2,1-2H3
InChIKeyJPNXVULROZTSBR-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.63
Rot. Bonds1

About 3-fluoro-4-methyl-1-methylsulfonylpiperidine

3-fluoro-4-methyl-1-methylsulfonylpiperidine (PubChem CID 131201244) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-methylsulfonylpiperidine
PubChem CID131201244
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-fluoro-4-methyl-1-methylsulfonylpiperidine
SMILESCC1CCN(S(C)(=O)=O)CC1F
InChIInChI=1S/C7H14FNO2S/c1-6-3-4-9(5-7(6)8)12(2,10)11/h6-7H,3-5H2,1-2H3
InChIKeyJPNXVULROZTSBR-UHFFFAOYSA-N
XLogP0.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-4-methyl-1-methylsulfonylpiperidine 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-fluoro-4-methyl-1-methylsulfonylpiperidine?
The IUPAC name of 3-fluoro-4-methyl-1-methylsulfonylpiperidine (CID 131201244) is 3-fluoro-4-methyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-fluoro-4-methyl-1-methylsulfonylpiperidine?
The canonical SMILES for 3-fluoro-4-methyl-1-methylsulfonylpiperidine is CC1CCN(S(C)(=O)=O)CC1F.
What is the InChIKey of 3-fluoro-4-methyl-1-methylsulfonylpiperidine?
The InChIKey is JPNXVULROZTSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-6-3-4-9(5-7(6)8)12(2,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-4-methyl-1-methylsulfonylpiperidine?
3-fluoro-4-methyl-1-methylsulfonylpiperidine has a molecular weight of 195.26 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 131201244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).