aminosulfamic acid;azane

H7N3O3S — CID 173429975

IUPACaminosulfamic acid;azane
SMILESN.NNS(=O)(=O)O
InChIInChI=1S/H4N2O3S.H3N/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);1H3
InChIKeyJVWLGQMVDIAESK-UHFFFAOYSA-N
MW129.14 g/mol
LogP-1.59
Rot. Bonds1

About aminosulfamic acid;azane

aminosulfamic acid;azane (PubChem CID 173429975) has the molecular formula H7N3O3S and a molecular weight of 129.14 g/mol. Its IUPAC name is aminosulfamic acid;azane.

Molecular Properties

Compound Nameaminosulfamic acid;azane
PubChem CID173429975
Molecular FormulaH7N3O3S
Molecular Weight129.14 g/mol
Exact Mass129.02
IUPAC Nameaminosulfamic acid;azane
SMILESN.NNS(=O)(=O)O
InChIInChI=1S/H4N2O3S.H3N/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);1H3
InChIKeyJVWLGQMVDIAESK-UHFFFAOYSA-N
XLogP-1.59
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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;azane?
The IUPAC name of aminosulfamic acid;azane (CID 173429975) is aminosulfamic acid;azane.
What is the SMILES notation for aminosulfamic acid;azane?
The canonical SMILES for aminosulfamic acid;azane is N.NNS(=O)(=O)O.
What is the InChIKey of aminosulfamic acid;azane?
The InChIKey is JVWLGQMVDIAESK-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O3S.H3N/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);1H3.
What are the key properties of aminosulfamic acid;azane?
aminosulfamic acid;azane has a molecular weight of 129.14 g/mol, XLogP of -1.59, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminosulfamic acid;azane is sourced from PubChem (CID 173429975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).