aminosulfamic acid

H4N2O3S — CID 10313107

IUPACaminosulfamic acid
SMILESNNS(=O)(=O)O
InChIInChI=1S/H4N2O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)
InChIKeyZMJZYXKPJWGDGR-UHFFFAOYSA-N
MW112.11 g/mol
LogP-1.75
Rot. Bonds1

About aminosulfamic acid

aminosulfamic acid (PubChem CID 10313107) has the molecular formula H4N2O3S and a molecular weight of 112.11 g/mol. Its IUPAC name is aminosulfamic acid.

Molecular Properties

Compound Nameaminosulfamic acid
PubChem CID10313107
Molecular FormulaH4N2O3S
Molecular Weight112.11 g/mol
Exact Mass111.99
IUPAC Nameaminosulfamic acid
SMILESNNS(=O)(=O)O
InChIInChI=1S/H4N2O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)
InChIKeyZMJZYXKPJWGDGR-UHFFFAOYSA-N
XLogP-1.75
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminosulfamic acid?
The IUPAC name of aminosulfamic acid (CID 10313107) is aminosulfamic acid.
What is the SMILES notation for aminosulfamic acid?
The canonical SMILES for aminosulfamic acid is NNS(=O)(=O)O.
What is the InChIKey of aminosulfamic acid?
The InChIKey is ZMJZYXKPJWGDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5).
What are the key properties of aminosulfamic acid?
aminosulfamic acid has a molecular weight of 112.11 g/mol, XLogP of -1.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminosulfamic acid is sourced from PubChem (CID 10313107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).