3-methylsulfonylprop-1-en-2-ol

C4H8O3S — CID 148549609

IUPAC3-methylsulfonylprop-1-en-2-ol
SMILESC=C(O)CS(C)(=O)=O
InChIInChI=1S/C4H8O3S/c1-4(5)3-8(2,6)7/h5H,1,3H2,2H3
InChIKeyKBLXCEYWFAMKDP-UHFFFAOYSA-N
MW136.17 g/mol
LogP0.10
Rot. Bonds2

About 3-methylsulfonylprop-1-en-2-ol

3-methylsulfonylprop-1-en-2-ol (PubChem CID 148549609) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is 3-methylsulfonylprop-1-en-2-ol.

Molecular Properties

Compound Name3-methylsulfonylprop-1-en-2-ol
PubChem CID148549609
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name3-methylsulfonylprop-1-en-2-ol
SMILESC=C(O)CS(C)(=O)=O
InChIInChI=1S/C4H8O3S/c1-4(5)3-8(2,6)7/h5H,1,3H2,2H3
InChIKeyKBLXCEYWFAMKDP-UHFFFAOYSA-N
XLogP0.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-methylsulfonylprop-1-en-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 3-methylsulfonylprop-1-en-2-ol?
The IUPAC name of 3-methylsulfonylprop-1-en-2-ol (CID 148549609) is 3-methylsulfonylprop-1-en-2-ol.
What is the SMILES notation for 3-methylsulfonylprop-1-en-2-ol?
The canonical SMILES for 3-methylsulfonylprop-1-en-2-ol is C=C(O)CS(C)(=O)=O.
What is the InChIKey of 3-methylsulfonylprop-1-en-2-ol?
The InChIKey is KBLXCEYWFAMKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c1-4(5)3-8(2,6)7/h5H,1,3H2,2H3.
What are the key properties of 3-methylsulfonylprop-1-en-2-ol?
3-methylsulfonylprop-1-en-2-ol has a molecular weight of 136.17 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylprop-1-en-2-ol is sourced from PubChem (CID 148549609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).