(2-azidohydrazinyl)sulfamic acid

H4N6O3S — CID 154408446

IUPAC(2-azidohydrazinyl)sulfamic acid
SMILES[N-]=[N+]=NNNNS(=O)(=O)O
InChIInChI=1S/H4N6O3S/c1-2-3-4-5-6-10(7,8)9/h4-6H,(H,7,8,9)
InChIKeyGQVHTVUZPSVIFB-UHFFFAOYSA-N
MW168.14 g/mol
LogP-1.39
Rot. Bonds4

About (2-azidohydrazinyl)sulfamic acid

(2-azidohydrazinyl)sulfamic acid (PubChem CID 154408446) has the molecular formula H4N6O3S and a molecular weight of 168.14 g/mol. Its IUPAC name is (2-azidohydrazinyl)sulfamic acid.

Molecular Properties

Compound Name(2-azidohydrazinyl)sulfamic acid
PubChem CID154408446
Molecular FormulaH4N6O3S
Molecular Weight168.14 g/mol
Exact Mass168.01
IUPAC Name(2-azidohydrazinyl)sulfamic acid
SMILES[N-]=[N+]=NNNNS(=O)(=O)O
InChIInChI=1S/H4N6O3S/c1-2-3-4-5-6-10(7,8)9/h4-6H,(H,7,8,9)
InChIKeyGQVHTVUZPSVIFB-UHFFFAOYSA-N
XLogP-1.39
TPSA139.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-azidohydrazinyl)sulfamic acid?
The IUPAC name of (2-azidohydrazinyl)sulfamic acid (CID 154408446) is (2-azidohydrazinyl)sulfamic acid.
What is the SMILES notation for (2-azidohydrazinyl)sulfamic acid?
The canonical SMILES for (2-azidohydrazinyl)sulfamic acid is [N-]=[N+]=NNNNS(=O)(=O)O.
What is the InChIKey of (2-azidohydrazinyl)sulfamic acid?
The InChIKey is GQVHTVUZPSVIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N6O3S/c1-2-3-4-5-6-10(7,8)9/h4-6H,(H,7,8,9).
What are the key properties of (2-azidohydrazinyl)sulfamic acid?
(2-azidohydrazinyl)sulfamic acid has a molecular weight of 168.14 g/mol, XLogP of -1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azidohydrazinyl)sulfamic acid is sourced from PubChem (CID 154408446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).