3-aminoprop-1-ene-2-sulfonic acid

C3H7NO3S — CID 87311080

IUPAC3-aminoprop-1-ene-2-sulfonic acid
SMILESC=C(CN)S(=O)(=O)O
InChIInChI=1S/C3H7NO3S/c1-3(2-4)8(5,6)7/h1-2,4H2,(H,5,6,7)
InChIKeyIFLKLZZMACKXFH-UHFFFAOYSA-N
MW137.16 g/mol
LogP-0.65
Rot. Bonds2

About 3-aminoprop-1-ene-2-sulfonic acid

3-aminoprop-1-ene-2-sulfonic acid (PubChem CID 87311080) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is 3-aminoprop-1-ene-2-sulfonic acid.

Molecular Properties

Compound Name3-aminoprop-1-ene-2-sulfonic acid
PubChem CID87311080
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Name3-aminoprop-1-ene-2-sulfonic acid
SMILESC=C(CN)S(=O)(=O)O
InChIInChI=1S/C3H7NO3S/c1-3(2-4)8(5,6)7/h1-2,4H2,(H,5,6,7)
InChIKeyIFLKLZZMACKXFH-UHFFFAOYSA-N
XLogP-0.65
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-ene-1,2-disulfonic acid
CID 87689860
2-aminoacetic acid;azane;sulfuric acid
CID 173374515
2-aminoacetic acid;iron;sulfuric acid
CID 87224971
azane;ethane-1,2-diamine;sulfuric acid
CID 175425988
2-aminoacetic acid;copper;sulfuric acid;hydrochloride
CID 174826155
3-hydroxy-3-(2-sulfoprop-2-enoxy)prop-1-ene-2-sulfonic acid
CID 57192222
azane;ethanamine;sulfuric acid
CID 173214245
ethanol;methanamine;sulfuric acid
CID 174912363
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
azane;ethane-1,2-diamine;palladium;sulfuric acid
CID 175400148
methanamine;methane;sulfuric acid
CID 173391364
2-(aminomethyl)prop-2-enamide
CID 19089601

Frequently Asked Questions

What is the IUPAC name of 3-aminoprop-1-ene-2-sulfonic acid?
The IUPAC name of 3-aminoprop-1-ene-2-sulfonic acid (CID 87311080) is 3-aminoprop-1-ene-2-sulfonic acid.
What is the SMILES notation for 3-aminoprop-1-ene-2-sulfonic acid?
The canonical SMILES for 3-aminoprop-1-ene-2-sulfonic acid is C=C(CN)S(=O)(=O)O.
What is the InChIKey of 3-aminoprop-1-ene-2-sulfonic acid?
The InChIKey is IFLKLZZMACKXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S/c1-3(2-4)8(5,6)7/h1-2,4H2,(H,5,6,7).
What are the key properties of 3-aminoprop-1-ene-2-sulfonic acid?
3-aminoprop-1-ene-2-sulfonic acid has a molecular weight of 137.16 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoprop-1-ene-2-sulfonic acid is sourced from PubChem (CID 87311080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).