1-ethenylsulfonylbutan-2-ol

C6H12O3S — CID 19871061

IUPAC1-ethenylsulfonylbutan-2-ol
SMILESC=CS(=O)(=O)CC(O)CC
InChIInChI=1S/C6H12O3S/c1-3-6(7)5-10(8,9)4-2/h4,6-7H,2-3,5H2,1H3
InChIKeyMEBMGVLWOQNATQ-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.32
Rot. Bonds4

About 1-ethenylsulfonylbutan-2-ol

1-ethenylsulfonylbutan-2-ol (PubChem CID 19871061) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-ethenylsulfonylbutan-2-ol.

Molecular Properties

Compound Name1-ethenylsulfonylbutan-2-ol
PubChem CID19871061
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name1-ethenylsulfonylbutan-2-ol
SMILESC=CS(=O)(=O)CC(O)CC
InChIInChI=1S/C6H12O3S/c1-3-6(7)5-10(8,9)4-2/h4,6-7H,2-3,5H2,1H3
InChIKeyMEBMGVLWOQNATQ-UHFFFAOYSA-N
XLogP0.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonylbutan-2-ol?
The IUPAC name of 1-ethenylsulfonylbutan-2-ol (CID 19871061) is 1-ethenylsulfonylbutan-2-ol.
What is the SMILES notation for 1-ethenylsulfonylbutan-2-ol?
The canonical SMILES for 1-ethenylsulfonylbutan-2-ol is C=CS(=O)(=O)CC(O)CC.
What is the InChIKey of 1-ethenylsulfonylbutan-2-ol?
The InChIKey is MEBMGVLWOQNATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-6(7)5-10(8,9)4-2/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 1-ethenylsulfonylbutan-2-ol?
1-ethenylsulfonylbutan-2-ol has a molecular weight of 164.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonylbutan-2-ol is sourced from PubChem (CID 19871061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).