4-ethenylsulfonylpiperidine

C7H13NO2S — CID 19797806

IUPAC4-ethenylsulfonylpiperidine
SMILESC=CS(=O)(=O)C1CCNCC1
InChIInChI=1S/C7H13NO2S/c1-2-11(9,10)7-3-5-8-6-4-7/h2,7-8H,1,3-6H2
InChIKeyVGKWTUBHQXYRGT-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.30
Rot. Bonds2

About 4-ethenylsulfonylpiperidine

4-ethenylsulfonylpiperidine (PubChem CID 19797806) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-ethenylsulfonylpiperidine.

Molecular Properties

Compound Name4-ethenylsulfonylpiperidine
PubChem CID19797806
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name4-ethenylsulfonylpiperidine
SMILESC=CS(=O)(=O)C1CCNCC1
InChIInChI=1S/C7H13NO2S/c1-2-11(9,10)7-3-5-8-6-4-7/h2,7-8H,1,3-6H2
InChIKeyVGKWTUBHQXYRGT-UHFFFAOYSA-N
XLogP0.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethenylsulfonylpiperidine 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-ethenylsulfonylpiperidine?
The IUPAC name of 4-ethenylsulfonylpiperidine (CID 19797806) is 4-ethenylsulfonylpiperidine.
What is the SMILES notation for 4-ethenylsulfonylpiperidine?
The canonical SMILES for 4-ethenylsulfonylpiperidine is C=CS(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-ethenylsulfonylpiperidine?
The InChIKey is VGKWTUBHQXYRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-11(9,10)7-3-5-8-6-4-7/h2,7-8H,1,3-6H2.
What are the key properties of 4-ethenylsulfonylpiperidine?
4-ethenylsulfonylpiperidine has a molecular weight of 175.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonylpiperidine is sourced from PubChem (CID 19797806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).