1-aminoprop-2-ene-1-sulfonamide

C3H8N2O2S — CID 87083980

IUPAC1-aminoprop-2-ene-1-sulfonamide
SMILESC=CC(N)S(N)(=O)=O
InChIInChI=1S/C3H8N2O2S/c1-2-3(4)8(5,6)7/h2-3H,1,4H2,(H2,5,6,7)
InChIKeyQWABYZDITUBTMF-UHFFFAOYSA-N
MW136.18 g/mol
LogP-1.25
Rot. Bonds2

About 1-aminoprop-2-ene-1-sulfonamide

1-aminoprop-2-ene-1-sulfonamide (PubChem CID 87083980) has the molecular formula C3H8N2O2S and a molecular weight of 136.18 g/mol. Its IUPAC name is 1-aminoprop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name1-aminoprop-2-ene-1-sulfonamide
PubChem CID87083980
Molecular FormulaC3H8N2O2S
Molecular Weight136.18 g/mol
Exact Mass136.03
IUPAC Name1-aminoprop-2-ene-1-sulfonamide
SMILESC=CC(N)S(N)(=O)=O
InChIInChI=1S/C3H8N2O2S/c1-2-3(4)8(5,6)7/h2-3H,1,4H2,(H2,5,6,7)
InChIKeyQWABYZDITUBTMF-UHFFFAOYSA-N
XLogP-1.25
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-aminoprop-2-ene-1-sulfonamide 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 1-aminoprop-2-ene-1-sulfonamide?
The IUPAC name of 1-aminoprop-2-ene-1-sulfonamide (CID 87083980) is 1-aminoprop-2-ene-1-sulfonamide.
What is the SMILES notation for 1-aminoprop-2-ene-1-sulfonamide?
The canonical SMILES for 1-aminoprop-2-ene-1-sulfonamide is C=CC(N)S(N)(=O)=O.
What is the InChIKey of 1-aminoprop-2-ene-1-sulfonamide?
The InChIKey is QWABYZDITUBTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S/c1-2-3(4)8(5,6)7/h2-3H,1,4H2,(H2,5,6,7).
What are the key properties of 1-aminoprop-2-ene-1-sulfonamide?
1-aminoprop-2-ene-1-sulfonamide has a molecular weight of 136.18 g/mol, XLogP of -1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoprop-2-ene-1-sulfonamide is sourced from PubChem (CID 87083980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).