2-prop-2-enylsulfonylethanol

C5H10O3S — CID 22979538

IUPAC2-prop-2-enylsulfonylethanol
SMILESC=CCS(=O)(=O)CCO
InChIInChI=1S/C5H10O3S/c1-2-4-9(7,8)5-3-6/h2,6H,1,3-5H2
InChIKeyWCGBPLRGMFGDOU-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.42
Rot. Bonds4

About 2-prop-2-enylsulfonylethanol

2-prop-2-enylsulfonylethanol (PubChem CID 22979538) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-prop-2-enylsulfonylethanol.

Molecular Properties

Compound Name2-prop-2-enylsulfonylethanol
PubChem CID22979538
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-prop-2-enylsulfonylethanol
SMILESC=CCS(=O)(=O)CCO
InChIInChI=1S/C5H10O3S/c1-2-4-9(7,8)5-3-6/h2,6H,1,3-5H2
InChIKeyWCGBPLRGMFGDOU-UHFFFAOYSA-N
XLogP-0.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-prop-2-enylsulfonylethanol?
The IUPAC name of 2-prop-2-enylsulfonylethanol (CID 22979538) is 2-prop-2-enylsulfonylethanol.
What is the SMILES notation for 2-prop-2-enylsulfonylethanol?
The canonical SMILES for 2-prop-2-enylsulfonylethanol is C=CCS(=O)(=O)CCO.
What is the InChIKey of 2-prop-2-enylsulfonylethanol?
The InChIKey is WCGBPLRGMFGDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-2-4-9(7,8)5-3-6/h2,6H,1,3-5H2.
What are the key properties of 2-prop-2-enylsulfonylethanol?
2-prop-2-enylsulfonylethanol has a molecular weight of 150.20 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonylethanol is sourced from PubChem (CID 22979538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).