3-Ethenoxypropane-1-sulfonic acid

C5H10O4S — CID 10176290

IUPAC3-ethenoxypropane-1-sulfonic acid
SMILESC=COCCCS(=O)(=O)O
InChIInChI=1S/C5H10O4S/c1-2-9-4-3-5-10(6,7)8/h2H,1,3-5H2,(H,6,7,8)
InChIKeyUYRCWWINMMLRGJ-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.10
Rot. Bonds5

About 3-Ethenoxypropane-1-sulfonic acid

3-Ethenoxypropane-1-sulfonic acid (PubChem CID 10176290) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-ethenoxypropane-1-sulfonic acid.

Molecular Properties

Compound Name3-Ethenoxypropane-1-sulfonic acid
PubChem CID10176290
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name3-ethenoxypropane-1-sulfonic acid
SMILESC=COCCCS(=O)(=O)O
InChIInChI=1S/C5H10O4S/c1-2-9-4-3-5-10(6,7)8/h2H,1,3-5H2,(H,6,7,8)
InChIKeyUYRCWWINMMLRGJ-UHFFFAOYSA-N
XLogP0.10
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity176

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-Ethenoxypropane-1-sulfonyl fluoride
CID 154634401
2-Ethenoxyethanesulfonic acid
CID 21496865
2-Ethenoxysulfonylethanesulfonic acid
CID 21850931
1-Ethenoxypropane-1-sulfonic acid
CID 23057342
2-Prop-1-enoxyethanesulfonic acid
CID 57254129
2-Ethenoxyethenyl propane-1-sulfonate
CID 57270398
Potassium 3-ethenoxypropane-1-sulfonate
CID 58689616
Sodium 3-ethenoxypropane-1-sulfonate
CID 58689638
2-Propoxyethenesulfonic acid
CID 76548154
1-Ethenoxybutane-2-sulfonic acid
CID 87063469
1-Ethenoxyethanesulfonic acid
CID 87795393
5-Ethenoxypentane-1-sulfonic acid
CID 87968723

Frequently Asked Questions

What is the IUPAC name of 3-Ethenoxypropane-1-sulfonic acid?
The IUPAC name of 3-Ethenoxypropane-1-sulfonic acid (CID 10176290) is 3-ethenoxypropane-1-sulfonic acid.
What is the SMILES notation for 3-Ethenoxypropane-1-sulfonic acid?
The canonical SMILES for 3-Ethenoxypropane-1-sulfonic acid is C=COCCCS(=O)(=O)O.
What is the InChIKey of 3-Ethenoxypropane-1-sulfonic acid?
The InChIKey is UYRCWWINMMLRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-2-9-4-3-5-10(6,7)8/h2H,1,3-5H2,(H,6,7,8).
What are the key properties of 3-Ethenoxypropane-1-sulfonic acid?
3-Ethenoxypropane-1-sulfonic acid has a molecular weight of 166.20 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Ethenoxypropane-1-sulfonic acid is sourced from PubChem (CID 10176290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).