3-ethenylsulfonyl-2-methylpropan-1-ol

C6H12O3S — CID 54385568

IUPAC3-ethenylsulfonyl-2-methylpropan-1-ol
SMILESC=CS(=O)(=O)CC(C)CO
InChIInChI=1S/C6H12O3S/c1-3-10(8,9)5-6(2)4-7/h3,6-7H,1,4-5H2,2H3
InChIKeyVCZQGTCFVMLXCS-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.17
Rot. Bonds4

About 3-ethenylsulfonyl-2-methylpropan-1-ol

3-ethenylsulfonyl-2-methylpropan-1-ol (PubChem CID 54385568) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-ethenylsulfonyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-ethenylsulfonyl-2-methylpropan-1-ol
PubChem CID54385568
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-ethenylsulfonyl-2-methylpropan-1-ol
SMILESC=CS(=O)(=O)CC(C)CO
InChIInChI=1S/C6H12O3S/c1-3-10(8,9)5-6(2)4-7/h3,6-7H,1,4-5H2,2H3
InChIKeyVCZQGTCFVMLXCS-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethenylsulfonyl-2-methylpropan-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

Related Compounds

3-(Methylsulfonyl)-1-propanol
CID 200424
1-Propanol, 1,3-bis(ethenylsulfonyl)-
CID 19739514
3-(2-Methylpropylsulfonyl)propan-1-ol
CID 11126865
1-Ethenylsulfonylpropan-2-ol
CID 19808252
1-Ethenylsulfonylbutan-2-ol
CID 19871061
3-Ethenylsulfonylpropan-1-ol
CID 21903878
4-Ethenylsulfonylbutan-2-ol
CID 22737414
Ethanol, 2-[(2-methylpropyl)sulfonyl]-
CID 22979545
2-Methyl-3-methylsulfonylpropan-1-ol
CID 53664805
2-Methyl-3-methylsulfinylpropan-1-ol
CID 54446892
4-Ethenylsulfonyl-2-methylbutan-1-ol
CID 54488185
1-Methylsulfonylpropan-1-ol
CID 57102182

Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonyl-2-methylpropan-1-ol?
The IUPAC name of 3-ethenylsulfonyl-2-methylpropan-1-ol (CID 54385568) is 3-ethenylsulfonyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-ethenylsulfonyl-2-methylpropan-1-ol?
The canonical SMILES for 3-ethenylsulfonyl-2-methylpropan-1-ol is C=CS(=O)(=O)CC(C)CO.
What is the InChIKey of 3-ethenylsulfonyl-2-methylpropan-1-ol?
The InChIKey is VCZQGTCFVMLXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-10(8,9)5-6(2)4-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 3-ethenylsulfonyl-2-methylpropan-1-ol?
3-ethenylsulfonyl-2-methylpropan-1-ol has a molecular weight of 164.23 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-2-methylpropan-1-ol is sourced from PubChem (CID 54385568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).