4-ethenylsulfonylbutan-2-one

C6H10O3S — CID 50907657

IUPAC4-ethenylsulfonylbutan-2-one
SMILESC=CS(=O)(=O)CCC(C)=O
InChIInChI=1S/C6H10O3S/c1-3-10(8,9)5-4-6(2)7/h3H,1,4-5H2,2H3
InChIKeyYKCAPWJWQQTXTB-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.52
Rot. Bonds4

About 4-ethenylsulfonylbutan-2-one

4-ethenylsulfonylbutan-2-one (PubChem CID 50907657) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 4-ethenylsulfonylbutan-2-one.

Molecular Properties

Compound Name4-ethenylsulfonylbutan-2-one
PubChem CID50907657
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name4-ethenylsulfonylbutan-2-one
SMILESC=CS(=O)(=O)CCC(C)=O
InChIInChI=1S/C6H10O3S/c1-3-10(8,9)5-4-6(2)7/h3H,1,4-5H2,2H3
InChIKeyYKCAPWJWQQTXTB-UHFFFAOYSA-N
XLogP0.52
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfonylbutan-2-one?
The IUPAC name of 4-ethenylsulfonylbutan-2-one (CID 50907657) is 4-ethenylsulfonylbutan-2-one.
What is the SMILES notation for 4-ethenylsulfonylbutan-2-one?
The canonical SMILES for 4-ethenylsulfonylbutan-2-one is C=CS(=O)(=O)CCC(C)=O.
What is the InChIKey of 4-ethenylsulfonylbutan-2-one?
The InChIKey is YKCAPWJWQQTXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-3-10(8,9)5-4-6(2)7/h3H,1,4-5H2,2H3.
What are the key properties of 4-ethenylsulfonylbutan-2-one?
4-ethenylsulfonylbutan-2-one has a molecular weight of 162.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonylbutan-2-one is sourced from PubChem (CID 50907657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).