3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine

C14H17NO2S — CID 11242499

IUPAC3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=CC1CN(S(=O)(=O)c2ccc(C)cc2)CC1=C
InChIInChI=1S/C14H17NO2S/c1-4-13-10-15(9-12(13)3)18(16,17)14-7-5-11(2)6-8-14/h4-8,13H,1,3,9-10H2,2H3
InChIKeyLUUDQSLAYIRWFT-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.36
Rot. Bonds3

About 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine

3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 11242499) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID11242499
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=CC1CN(S(=O)(=O)c2ccc(C)cc2)CC1=C
InChIInChI=1S/C14H17NO2S/c1-4-13-10-15(9-12(13)3)18(16,17)14-7-5-11(2)6-8-14/h4-8,13H,1,3,9-10H2,2H3
InChIKeyLUUDQSLAYIRWFT-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine 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-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine (CID 11242499) is 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine is C=CC1CN(S(=O)(=O)c2ccc(C)cc2)CC1=C.
What is the InChIKey of 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is LUUDQSLAYIRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-4-13-10-15(9-12(13)3)18(16,17)14-7-5-11(2)6-8-14/h4-8,13H,1,3,9-10H2,2H3.
What are the key properties of 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine?
3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 263.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 11242499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).