1-prop-2-enylsulfonylethanol

C5H10O3S — CID 88788705

IUPAC1-prop-2-enylsulfonylethanol
SMILESC=CCS(=O)(=O)C(C)O
InChIInChI=1S/C5H10O3S/c1-3-4-9(7,8)5(2)6/h3,5-6H,1,4H2,2H3
InChIKeyIPIZLFCLYIFGAD-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.07
Rot. Bonds3

About 1-prop-2-enylsulfonylethanol

1-prop-2-enylsulfonylethanol (PubChem CID 88788705) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-prop-2-enylsulfonylethanol.

Molecular Properties

Compound Name1-prop-2-enylsulfonylethanol
PubChem CID88788705
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name1-prop-2-enylsulfonylethanol
SMILESC=CCS(=O)(=O)C(C)O
InChIInChI=1S/C5H10O3S/c1-3-4-9(7,8)5(2)6/h3,5-6H,1,4H2,2H3
InChIKeyIPIZLFCLYIFGAD-UHFFFAOYSA-N
XLogP-0.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.07
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 1-prop-2-enylsulfonylethanol?
The IUPAC name of 1-prop-2-enylsulfonylethanol (CID 88788705) is 1-prop-2-enylsulfonylethanol.
What is the SMILES notation for 1-prop-2-enylsulfonylethanol?
The canonical SMILES for 1-prop-2-enylsulfonylethanol is C=CCS(=O)(=O)C(C)O.
What is the InChIKey of 1-prop-2-enylsulfonylethanol?
The InChIKey is IPIZLFCLYIFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-3-4-9(7,8)5(2)6/h3,5-6H,1,4H2,2H3.
What are the key properties of 1-prop-2-enylsulfonylethanol?
1-prop-2-enylsulfonylethanol has a molecular weight of 150.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfonylethanol is sourced from PubChem (CID 88788705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).