4-(2-methylsulfonylethylidene)piperidine

C8H15NO2S — CID 79879974

IUPAC4-(2-methylsulfonylethylidene)piperidine
SMILESCS(=O)(=O)CC=C1CCNCC1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8/h4,9H,2-3,5-7H2,1H3
InChIKeyHKAJAHMJWXBOOR-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.34
Rot. Bonds2

About 4-(2-methylsulfonylethylidene)piperidine

4-(2-methylsulfonylethylidene)piperidine (PubChem CID 79879974) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylidene)piperidine.

Molecular Properties

Compound Name4-(2-methylsulfonylethylidene)piperidine
PubChem CID79879974
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name4-(2-methylsulfonylethylidene)piperidine
SMILESCS(=O)(=O)CC=C1CCNCC1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8/h4,9H,2-3,5-7H2,1H3
InChIKeyHKAJAHMJWXBOOR-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 4-(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 4-(2-methylsulfonylethylidene)piperidine?
The IUPAC name of 4-(2-methylsulfonylethylidene)piperidine (CID 79879974) is 4-(2-methylsulfonylethylidene)piperidine.
What is the SMILES notation for 4-(2-methylsulfonylethylidene)piperidine?
The canonical SMILES for 4-(2-methylsulfonylethylidene)piperidine is CS(=O)(=O)CC=C1CCNCC1.
What is the InChIKey of 4-(2-methylsulfonylethylidene)piperidine?
The InChIKey is HKAJAHMJWXBOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8/h4,9H,2-3,5-7H2,1H3.
What are the key properties of 4-(2-methylsulfonylethylidene)piperidine?
4-(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 4-(2-methylsulfonylethylidene)piperidine is sourced from PubChem (CID 79879974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).