2-methyl-1-methylsulfonylprop-2-en-1-ol

C5H10O3S — CID 174550575

IUPAC2-methyl-1-methylsulfonylprop-2-en-1-ol
SMILESC=C(C)C(O)S(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-4(2)5(6)9(3,7)8/h5-6H,1H2,2-3H3
InChIKeyWGFCEICYSQTGNE-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.07
Rot. Bonds2

About 2-methyl-1-methylsulfonylprop-2-en-1-ol

2-methyl-1-methylsulfonylprop-2-en-1-ol (PubChem CID 174550575) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonylprop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfonylprop-2-en-1-ol
PubChem CID174550575
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-methyl-1-methylsulfonylprop-2-en-1-ol
SMILESC=C(C)C(O)S(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-4(2)5(6)9(3,7)8/h5-6H,1H2,2-3H3
InChIKeyWGFCEICYSQTGNE-UHFFFAOYSA-N
XLogP-0.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-methylsulfonylprop-2-en-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 2-methyl-1-methylsulfonylprop-2-en-1-ol?
The IUPAC name of 2-methyl-1-methylsulfonylprop-2-en-1-ol (CID 174550575) is 2-methyl-1-methylsulfonylprop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-methylsulfonylprop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-methylsulfonylprop-2-en-1-ol is C=C(C)C(O)S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonylprop-2-en-1-ol?
The InChIKey is WGFCEICYSQTGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-4(2)5(6)9(3,7)8/h5-6H,1H2,2-3H3.
What are the key properties of 2-methyl-1-methylsulfonylprop-2-en-1-ol?
2-methyl-1-methylsulfonylprop-2-en-1-ol has a molecular weight of 150.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonylprop-2-en-1-ol is sourced from PubChem (CID 174550575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).