1-ethylsulfonylprop-1-en-2-ol

C5H10O3S — CID 170923766

IUPAC1-ethylsulfonylprop-1-en-2-ol
SMILESCCS(=O)(=O)C=C(C)O
InChIInChI=1S/C5H10O3S/c1-3-9(7,8)4-5(2)6/h4,6H,3H2,1-2H3
InChIKeyBRSXYMQZZCVCQT-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.84
Rot. Bonds2

About 1-ethylsulfonylprop-1-en-2-ol

1-ethylsulfonylprop-1-en-2-ol (PubChem CID 170923766) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-ethylsulfonylprop-1-en-2-ol.

Molecular Properties

Compound Name1-ethylsulfonylprop-1-en-2-ol
PubChem CID170923766
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name1-ethylsulfonylprop-1-en-2-ol
SMILESCCS(=O)(=O)C=C(C)O
InChIInChI=1S/C5H10O3S/c1-3-9(7,8)4-5(2)6/h4,6H,3H2,1-2H3
InChIKeyBRSXYMQZZCVCQT-UHFFFAOYSA-N
XLogP0.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylprop-1-en-2-ol?
The IUPAC name of 1-ethylsulfonylprop-1-en-2-ol (CID 170923766) is 1-ethylsulfonylprop-1-en-2-ol.
What is the SMILES notation for 1-ethylsulfonylprop-1-en-2-ol?
The canonical SMILES for 1-ethylsulfonylprop-1-en-2-ol is CCS(=O)(=O)C=C(C)O.
What is the InChIKey of 1-ethylsulfonylprop-1-en-2-ol?
The InChIKey is BRSXYMQZZCVCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-3-9(7,8)4-5(2)6/h4,6H,3H2,1-2H3.
What are the key properties of 1-ethylsulfonylprop-1-en-2-ol?
1-ethylsulfonylprop-1-en-2-ol has a molecular weight of 150.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylprop-1-en-2-ol is sourced from PubChem (CID 170923766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).