(iminohydrazinylidene)sulfamic acid

H2N4O3S — CID 173464633

IUPAC(iminohydrazinylidene)sulfamic acid
SMILES[H]/N=N/N=NS(=O)(=O)O
InChIInChI=1S/H2N4O3S/c1-2-3-4-8(5,6)7/h1H,(H,5,6,7)/b2-1+,4-3?
InChIKeyHCLGCEGRWKTBPZ-BRHLVPALSA-N
MW138.11 g/mol
LogP0.19
Rot. Bonds2

About (iminohydrazinylidene)sulfamic acid

(iminohydrazinylidene)sulfamic acid (PubChem CID 173464633) has the molecular formula H2N4O3S and a molecular weight of 138.11 g/mol. Its IUPAC name is (iminohydrazinylidene)sulfamic acid.

Molecular Properties

Compound Name(iminohydrazinylidene)sulfamic acid
PubChem CID173464633
Molecular FormulaH2N4O3S
Molecular Weight138.11 g/mol
Exact Mass137.98
IUPAC Name(iminohydrazinylidene)sulfamic acid
SMILES[H]/N=N/N=NS(=O)(=O)O
InChIInChI=1S/H2N4O3S/c1-2-3-4-8(5,6)7/h1H,(H,5,6,7)/b2-1+,4-3?
InChIKeyHCLGCEGRWKTBPZ-BRHLVPALSA-N
XLogP0.19
TPSA115.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (iminohydrazinylidene)sulfamic 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 (iminohydrazinylidene)sulfamic acid?
The IUPAC name of (iminohydrazinylidene)sulfamic acid (CID 173464633) is (iminohydrazinylidene)sulfamic acid.
What is the SMILES notation for (iminohydrazinylidene)sulfamic acid?
The canonical SMILES for (iminohydrazinylidene)sulfamic acid is [H]/N=N/N=NS(=O)(=O)O.
What is the InChIKey of (iminohydrazinylidene)sulfamic acid?
The InChIKey is HCLGCEGRWKTBPZ-BRHLVPALSA-N. The full InChI is InChI=1S/H2N4O3S/c1-2-3-4-8(5,6)7/h1H,(H,5,6,7)/b2-1+,4-3?.
What are the key properties of (iminohydrazinylidene)sulfamic acid?
(iminohydrazinylidene)sulfamic acid has a molecular weight of 138.11 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (iminohydrazinylidene)sulfamic acid is sourced from PubChem (CID 173464633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).