amino N-iminosulfamate

H3N3O3S — CID 174949044

IUPACamino N-iminosulfamate
SMILES[H]/N=N/S(=O)(=O)ON
InChIInChI=1S/H3N3O3S/c1-3-7(4,5)6-2/h1H,2H2/b3-1+
InChIKeyAEBFCCKNQVENSN-HNQUOIGGSA-N
MW125.11 g/mol
LogP-0.85
Rot. Bonds2

About amino N-iminosulfamate

amino N-iminosulfamate (PubChem CID 174949044) has the molecular formula H3N3O3S and a molecular weight of 125.11 g/mol. Its IUPAC name is amino N-iminosulfamate.

Molecular Properties

Compound Nameamino N-iminosulfamate
PubChem CID174949044
Molecular FormulaH3N3O3S
Molecular Weight125.11 g/mol
Exact Mass124.99
IUPAC Nameamino N-iminosulfamate
SMILES[H]/N=N/S(=O)(=O)ON
InChIInChI=1S/H3N3O3S/c1-3-7(4,5)6-2/h1H,2H2/b3-1+
InChIKeyAEBFCCKNQVENSN-HNQUOIGGSA-N
XLogP-0.85
TPSA105.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.11
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze amino N-iminosulfamate 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 amino N-iminosulfamate?
The IUPAC name of amino N-iminosulfamate (CID 174949044) is amino N-iminosulfamate.
What is the SMILES notation for amino N-iminosulfamate?
The canonical SMILES for amino N-iminosulfamate is [H]/N=N/S(=O)(=O)ON.
What is the InChIKey of amino N-iminosulfamate?
The InChIKey is AEBFCCKNQVENSN-HNQUOIGGSA-N. The full InChI is InChI=1S/H3N3O3S/c1-3-7(4,5)6-2/h1H,2H2/b3-1+.
What are the key properties of amino N-iminosulfamate?
amino N-iminosulfamate has a molecular weight of 125.11 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-iminosulfamate is sourced from PubChem (CID 174949044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).