3-ethenylsulfonylpiperidine

C7H13NO2S — CID 167122256

IUPAC3-ethenylsulfonylpiperidine
SMILESC=CS(=O)(=O)C1CCCNC1
InChIInChI=1S/C7H13NO2S/c1-2-11(9,10)7-4-3-5-8-6-7/h2,7-8H,1,3-6H2
InChIKeyWUNJRCCPYTYFFI-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.30
Rot. Bonds2

About 3-ethenylsulfonylpiperidine

3-ethenylsulfonylpiperidine (PubChem CID 167122256) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-ethenylsulfonylpiperidine.

Molecular Properties

Compound Name3-ethenylsulfonylpiperidine
PubChem CID167122256
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-ethenylsulfonylpiperidine
SMILESC=CS(=O)(=O)C1CCCNC1
InChIInChI=1S/C7H13NO2S/c1-2-11(9,10)7-4-3-5-8-6-7/h2,7-8H,1,3-6H2
InChIKeyWUNJRCCPYTYFFI-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 3-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 3-ethenylsulfonylpiperidine?
The IUPAC name of 3-ethenylsulfonylpiperidine (CID 167122256) is 3-ethenylsulfonylpiperidine.
What is the SMILES notation for 3-ethenylsulfonylpiperidine?
The canonical SMILES for 3-ethenylsulfonylpiperidine is C=CS(=O)(=O)C1CCCNC1.
What is the InChIKey of 3-ethenylsulfonylpiperidine?
The InChIKey is WUNJRCCPYTYFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-11(9,10)7-4-3-5-8-6-7/h2,7-8H,1,3-6H2.
What are the key properties of 3-ethenylsulfonylpiperidine?
3-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 3-ethenylsulfonylpiperidine is sourced from PubChem (CID 167122256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).