3-(2-methylsulfonylethylidene)piperidine

C8H15NO2S — CID 79880617

IUPAC3-(2-methylsulfonylethylidene)piperidine
SMILESCS(=O)(=O)CC=C1CCCNC1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)6-4-8-3-2-5-9-7-8/h4,9H,2-3,5-7H2,1H3
InChIKeyCTNINSIIGRBRSG-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.34
Rot. Bonds2

About 3-(2-methylsulfonylethylidene)piperidine

3-(2-methylsulfonylethylidene)piperidine (PubChem CID 79880617) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-(2-methylsulfonylethylidene)piperidine.

Molecular Properties

Compound Name3-(2-methylsulfonylethylidene)piperidine
PubChem CID79880617
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name3-(2-methylsulfonylethylidene)piperidine
SMILESCS(=O)(=O)CC=C1CCCNC1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)6-4-8-3-2-5-9-7-8/h4,9H,2-3,5-7H2,1H3
InChIKeyCTNINSIIGRBRSG-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2-methylsulfonylethylidene)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 3-(2-methylsulfonylethylidene)piperidine?
The IUPAC name of 3-(2-methylsulfonylethylidene)piperidine (CID 79880617) is 3-(2-methylsulfonylethylidene)piperidine.
What is the SMILES notation for 3-(2-methylsulfonylethylidene)piperidine?
The canonical SMILES for 3-(2-methylsulfonylethylidene)piperidine is CS(=O)(=O)CC=C1CCCNC1.
What is the InChIKey of 3-(2-methylsulfonylethylidene)piperidine?
The InChIKey is CTNINSIIGRBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12(10,11)6-4-8-3-2-5-9-7-8/h4,9H,2-3,5-7H2,1H3.
What are the key properties of 3-(2-methylsulfonylethylidene)piperidine?
3-(2-methylsulfonylethylidene)piperidine has a molecular weight of 189.28 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethylidene)piperidine is sourced from PubChem (CID 79880617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).