3-ethenylsulfonylprop-1-ene

C5H8O2S — CID 15738528

IUPAC3-ethenylsulfonylprop-1-ene
SMILESC=CCS(=O)(=O)C=C
InChIInChI=1S/C5H8O2S/c1-3-5-8(6,7)4-2/h3-4H,1-2,5H2
InChIKeyYHPCAQUDOQKKBH-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.73
Rot. Bonds3

About 3-ethenylsulfonylprop-1-ene

3-ethenylsulfonylprop-1-ene (PubChem CID 15738528) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-ethenylsulfonylprop-1-ene.

Molecular Properties

Compound Name3-ethenylsulfonylprop-1-ene
PubChem CID15738528
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name3-ethenylsulfonylprop-1-ene
SMILESC=CCS(=O)(=O)C=C
InChIInChI=1S/C5H8O2S/c1-3-5-8(6,7)4-2/h3-4H,1-2,5H2
InChIKeyYHPCAQUDOQKKBH-UHFFFAOYSA-N
XLogP0.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonylprop-1-ene?
The IUPAC name of 3-ethenylsulfonylprop-1-ene (CID 15738528) is 3-ethenylsulfonylprop-1-ene.
What is the SMILES notation for 3-ethenylsulfonylprop-1-ene?
The canonical SMILES for 3-ethenylsulfonylprop-1-ene is C=CCS(=O)(=O)C=C.
What is the InChIKey of 3-ethenylsulfonylprop-1-ene?
The InChIKey is YHPCAQUDOQKKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-3-5-8(6,7)4-2/h3-4H,1-2,5H2.
What are the key properties of 3-ethenylsulfonylprop-1-ene?
3-ethenylsulfonylprop-1-ene has a molecular weight of 132.18 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonylprop-1-ene is sourced from PubChem (CID 15738528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).