3-prop-2-enylsulfonylpropan-1-ol

C6H12O3S — CID 82181907

IUPAC3-prop-2-enylsulfonylpropan-1-ol
SMILESC=CCS(=O)(=O)CCCO
InChIInChI=1S/C6H12O3S/c1-2-5-10(8,9)6-3-4-7/h2,7H,1,3-6H2
InChIKeyDMTKRZXHSGLUMS-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.03
Rot. Bonds5

About 3-prop-2-enylsulfonylpropan-1-ol

3-prop-2-enylsulfonylpropan-1-ol (PubChem CID 82181907) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-prop-2-enylsulfonylpropan-1-ol.

Molecular Properties

Compound Name3-prop-2-enylsulfonylpropan-1-ol
PubChem CID82181907
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-prop-2-enylsulfonylpropan-1-ol
SMILESC=CCS(=O)(=O)CCCO
InChIInChI=1S/C6H12O3S/c1-2-5-10(8,9)6-3-4-7/h2,7H,1,3-6H2
InChIKeyDMTKRZXHSGLUMS-UHFFFAOYSA-N
XLogP-0.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-prop-2-enylsulfonylpropan-1-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 3-prop-2-enylsulfonylpropan-1-ol?
The IUPAC name of 3-prop-2-enylsulfonylpropan-1-ol (CID 82181907) is 3-prop-2-enylsulfonylpropan-1-ol.
What is the SMILES notation for 3-prop-2-enylsulfonylpropan-1-ol?
The canonical SMILES for 3-prop-2-enylsulfonylpropan-1-ol is C=CCS(=O)(=O)CCCO.
What is the InChIKey of 3-prop-2-enylsulfonylpropan-1-ol?
The InChIKey is DMTKRZXHSGLUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-5-10(8,9)6-3-4-7/h2,7H,1,3-6H2.
What are the key properties of 3-prop-2-enylsulfonylpropan-1-ol?
3-prop-2-enylsulfonylpropan-1-ol has a molecular weight of 164.23 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfonylpropan-1-ol is sourced from PubChem (CID 82181907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).