(3S,4S)-3-fluoro-4-methylsulfonylpiperidine

C6H12FNO2S — CID 118661716

IUPAC(3S,4S)-3-fluoro-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyXNIBAWOOLYSJTB-WDSKDSINSA-N
MW181.23 g/mol
LogP-0.27
Rot. Bonds1

About (3S,4S)-3-fluoro-4-methylsulfonylpiperidine

(3S,4S)-3-fluoro-4-methylsulfonylpiperidine (PubChem CID 118661716) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-methylsulfonylpiperidine
PubChem CID118661716
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name(3S,4S)-3-fluoro-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyXNIBAWOOLYSJTB-WDSKDSINSA-N
XLogP-0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-3-fluoro-4-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 (3S,4S)-3-fluoro-4-methylsulfonylpiperidine?
The IUPAC name of (3S,4S)-3-fluoro-4-methylsulfonylpiperidine (CID 118661716) is (3S,4S)-3-fluoro-4-methylsulfonylpiperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-methylsulfonylpiperidine?
The canonical SMILES for (3S,4S)-3-fluoro-4-methylsulfonylpiperidine is CS(=O)(=O)[C@H]1CCNC[C@@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-4-methylsulfonylpiperidine?
The InChIKey is XNIBAWOOLYSJTB-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-methylsulfonylpiperidine?
(3S,4S)-3-fluoro-4-methylsulfonylpiperidine has a molecular weight of 181.23 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-methylsulfonylpiperidine is sourced from PubChem (CID 118661716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).