4-ethenylsulfonylbutan-2-ol

C6H12O3S — CID 22737414

IUPAC4-ethenylsulfonylbutan-2-ol
SMILESC=CS(=O)(=O)CCC(C)O
InChIInChI=1S/C6H12O3S/c1-3-10(8,9)5-4-6(2)7/h3,6-7H,1,4-5H2,2H3
InChIKeyVGFXVSDRXMOYQW-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.32
Rot. Bonds4

About 4-ethenylsulfonylbutan-2-ol

4-ethenylsulfonylbutan-2-ol (PubChem CID 22737414) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-ethenylsulfonylbutan-2-ol.

Molecular Properties

Compound Name4-ethenylsulfonylbutan-2-ol
PubChem CID22737414
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name4-ethenylsulfonylbutan-2-ol
SMILESC=CS(=O)(=O)CCC(C)O
InChIInChI=1S/C6H12O3S/c1-3-10(8,9)5-4-6(2)7/h3,6-7H,1,4-5H2,2H3
InChIKeyVGFXVSDRXMOYQW-UHFFFAOYSA-N
XLogP0.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethenylsulfonylbutan-2-ol 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-ethenylsulfonylbutan-2-ol?
The IUPAC name of 4-ethenylsulfonylbutan-2-ol (CID 22737414) is 4-ethenylsulfonylbutan-2-ol.
What is the SMILES notation for 4-ethenylsulfonylbutan-2-ol?
The canonical SMILES for 4-ethenylsulfonylbutan-2-ol is C=CS(=O)(=O)CCC(C)O.
What is the InChIKey of 4-ethenylsulfonylbutan-2-ol?
The InChIKey is VGFXVSDRXMOYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-10(8,9)5-4-6(2)7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 4-ethenylsulfonylbutan-2-ol?
4-ethenylsulfonylbutan-2-ol has a molecular weight of 164.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonylbutan-2-ol is sourced from PubChem (CID 22737414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).