1-ethenylsulfonylpropane

C5H10O2S — CID 5323640

IUPAC1-ethenylsulfonylpropane
SMILESC=CS(=O)(=O)CCC
InChIInChI=1S/C5H10O2S/c1-3-5-8(6,7)4-2/h4H,2-3,5H2,1H3
InChIKeyDBCLLYFDDUBSML-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.95
Rot. Bonds3

About 1-ethenylsulfonylpropane

1-ethenylsulfonylpropane (PubChem CID 5323640) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-ethenylsulfonylpropane.

Molecular Properties

Compound Name1-ethenylsulfonylpropane
PubChem CID5323640
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name1-ethenylsulfonylpropane
SMILESC=CS(=O)(=O)CCC
InChIInChI=1S/C5H10O2S/c1-3-5-8(6,7)4-2/h4H,2-3,5H2,1H3
InChIKeyDBCLLYFDDUBSML-UHFFFAOYSA-N
XLogP0.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethenylsulfonylpropane 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 1-ethenylsulfonylpropane?
The IUPAC name of 1-ethenylsulfonylpropane (CID 5323640) is 1-ethenylsulfonylpropane.
What is the SMILES notation for 1-ethenylsulfonylpropane?
The canonical SMILES for 1-ethenylsulfonylpropane is C=CS(=O)(=O)CCC.
What is the InChIKey of 1-ethenylsulfonylpropane?
The InChIKey is DBCLLYFDDUBSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-3-5-8(6,7)4-2/h4H,2-3,5H2,1H3.
What are the key properties of 1-ethenylsulfonylpropane?
1-ethenylsulfonylpropane has a molecular weight of 134.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonylpropane is sourced from PubChem (CID 5323640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).