(E)-3-aminobut-1-ene-1-sulfonic acid

C4H9NO3S — CID 14780635

IUPAC(E)-3-aminobut-1-ene-1-sulfonic acid
SMILESCC(N)/C=C/S(=O)(=O)O
InChIInChI=1S/C4H9NO3S/c1-4(5)2-3-9(6,7)8/h2-4H,5H2,1H3,(H,6,7,8)/b3-2+
InChIKeyGGRNBYFVWGTLCK-NSCUHMNNSA-N
MW151.19 g/mol
LogP-0.26
Rot. Bonds2

About (E)-3-aminobut-1-ene-1-sulfonic acid

(E)-3-aminobut-1-ene-1-sulfonic acid (PubChem CID 14780635) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is (E)-3-aminobut-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-3-aminobut-1-ene-1-sulfonic acid
PubChem CID14780635
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name(E)-3-aminobut-1-ene-1-sulfonic acid
SMILESCC(N)/C=C/S(=O)(=O)O
InChIInChI=1S/C4H9NO3S/c1-4(5)2-3-9(6,7)8/h2-4H,5H2,1H3,(H,6,7,8)/b3-2+
InChIKeyGGRNBYFVWGTLCK-NSCUHMNNSA-N
XLogP-0.26
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-aminobut-1-ene-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-aminobut-1-ene-1-sulfonic acid?
The IUPAC name of (E)-3-aminobut-1-ene-1-sulfonic acid (CID 14780635) is (E)-3-aminobut-1-ene-1-sulfonic acid.
What is the SMILES notation for (E)-3-aminobut-1-ene-1-sulfonic acid?
The canonical SMILES for (E)-3-aminobut-1-ene-1-sulfonic acid is CC(N)/C=C/S(=O)(=O)O.
What is the InChIKey of (E)-3-aminobut-1-ene-1-sulfonic acid?
The InChIKey is GGRNBYFVWGTLCK-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-4(5)2-3-9(6,7)8/h2-4H,5H2,1H3,(H,6,7,8)/b3-2+.
What are the key properties of (E)-3-aminobut-1-ene-1-sulfonic acid?
(E)-3-aminobut-1-ene-1-sulfonic acid has a molecular weight of 151.19 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-aminobut-1-ene-1-sulfonic acid is sourced from PubChem (CID 14780635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).