potassium (E)-but-2-ene-1-sulfonate

C4H7KO3S — CID 87169242

IUPACpotassium (E)-but-2-ene-1-sulfonate
SMILESC/C=C/CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H8O3S.K/c1-2-3-4-8(5,6)7;/h2-3H,4H2,1H3,(H,5,6,7);/q;+1/p-1/b3-2+;
InChIKeyCAOLHCGJORBYQJ-SQQVDAMQSA-M
MW174.26 g/mol
LogP-2.89
Rot. Bonds2

About potassium (E)-but-2-ene-1-sulfonate

potassium (E)-but-2-ene-1-sulfonate (PubChem CID 87169242) has the molecular formula C4H7KO3S and a molecular weight of 174.26 g/mol. Its IUPAC name is potassium (E)-but-2-ene-1-sulfonate.

Molecular Properties

Compound Namepotassium (E)-but-2-ene-1-sulfonate
PubChem CID87169242
Molecular FormulaC4H7KO3S
Molecular Weight174.26 g/mol
Exact Mass173.98
IUPAC Namepotassium (E)-but-2-ene-1-sulfonate
SMILESC/C=C/CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H8O3S.K/c1-2-3-4-8(5,6)7;/h2-3H,4H2,1H3,(H,5,6,7);/q;+1/p-1/b3-2+;
InChIKeyCAOLHCGJORBYQJ-SQQVDAMQSA-M
XLogP-2.89
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 5-2.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze potassium (E)-but-2-ene-1-sulfonate 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

potassium 3-fluoroprop-2-ene-1-sulfonate
CID 173210407
methyl (E)-but-2-ene-1-sulfonate
CID 88537347
sodium (E)-4-chlorobut-2-ene-1-sulfonate
CID 23676090
sodium oct-2-ene-1-sulfonate
CID 140570664
sodium (E)-tritriacont-2-ene-1-sulfonate
CID 102060459
potassium propane-1-sulfonate
CID 23693600
[(E)-but-2-enyl]sulfonylcyclopentane
CID 131234180
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
sodium 3-(dipentylamino)prop-2-ene-1-sulfonate
CID 139688433
1-[(E)-but-2-enyl]sulfonyl-3-methylbuta-1,2-diene
CID 15026003
sodium;ethene;prop-2-ene-1-sulfonate
CID 174838535
copper(1+);ethanesulfonate
CID 175365539

Frequently Asked Questions

What is the IUPAC name of potassium (E)-but-2-ene-1-sulfonate?
The IUPAC name of potassium (E)-but-2-ene-1-sulfonate (CID 87169242) is potassium (E)-but-2-ene-1-sulfonate.
What is the SMILES notation for potassium (E)-but-2-ene-1-sulfonate?
The canonical SMILES for potassium (E)-but-2-ene-1-sulfonate is C/C=C/CS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium (E)-but-2-ene-1-sulfonate?
The InChIKey is CAOLHCGJORBYQJ-SQQVDAMQSA-M. The full InChI is InChI=1S/C4H8O3S.K/c1-2-3-4-8(5,6)7;/h2-3H,4H2,1H3,(H,5,6,7);/q;+1/p-1/b3-2+;.
What are the key properties of potassium (E)-but-2-ene-1-sulfonate?
potassium (E)-but-2-ene-1-sulfonate has a molecular weight of 174.26 g/mol, XLogP of -2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (E)-but-2-ene-1-sulfonate is sourced from PubChem (CID 87169242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).