3-aminopropanimidoyliminosulfamic acid

C3H8N4O3S — CID 175299489

IUPAC3-aminopropanimidoyliminosulfamic acid
SMILES[H]/N=C(CCN)/N=N/S(=O)(=O)O
InChIInChI=1S/C3H8N4O3S/c4-2-1-3(5)6-7-11(8,9)10/h5H,1-2,4H2,(H,8,9,10)/b5-3+,7-6+
InChIKeyMOXPNCDBEPLWEZ-TWTPFVCWSA-N
MW180.19 g/mol
LogP-0.43
Rot. Bonds3

About 3-aminopropanimidoyliminosulfamic acid

3-aminopropanimidoyliminosulfamic acid (PubChem CID 175299489) has the molecular formula C3H8N4O3S and a molecular weight of 180.19 g/mol. Its IUPAC name is 3-aminopropanimidoyliminosulfamic acid.

Molecular Properties

Compound Name3-aminopropanimidoyliminosulfamic acid
PubChem CID175299489
Molecular FormulaC3H8N4O3S
Molecular Weight180.19 g/mol
Exact Mass180.03
IUPAC Name3-aminopropanimidoyliminosulfamic acid
SMILES[H]/N=C(CCN)/N=N/S(=O)(=O)O
InChIInChI=1S/C3H8N4O3S/c4-2-1-3(5)6-7-11(8,9)10/h5H,1-2,4H2,(H,8,9,10)/b5-3+,7-6+
InChIKeyMOXPNCDBEPLWEZ-TWTPFVCWSA-N
XLogP-0.43
TPSA128.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-aminopropanimidoyliminosulfamic 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 3-aminopropanimidoyliminosulfamic acid?
The IUPAC name of 3-aminopropanimidoyliminosulfamic acid (CID 175299489) is 3-aminopropanimidoyliminosulfamic acid.
What is the SMILES notation for 3-aminopropanimidoyliminosulfamic acid?
The canonical SMILES for 3-aminopropanimidoyliminosulfamic acid is [H]/N=C(CCN)/N=N/S(=O)(=O)O.
What is the InChIKey of 3-aminopropanimidoyliminosulfamic acid?
The InChIKey is MOXPNCDBEPLWEZ-TWTPFVCWSA-N. The full InChI is InChI=1S/C3H8N4O3S/c4-2-1-3(5)6-7-11(8,9)10/h5H,1-2,4H2,(H,8,9,10)/b5-3+,7-6+.
What are the key properties of 3-aminopropanimidoyliminosulfamic acid?
3-aminopropanimidoyliminosulfamic acid has a molecular weight of 180.19 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanimidoyliminosulfamic acid is sourced from PubChem (CID 175299489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).