(2-diazohydrazinyl)-(sulfoamino)sulfamic acid

H4N6O6S2 — CID 151702972

IUPAC(2-diazohydrazinyl)-(sulfoamino)sulfamic acid
SMILES[N-]=[N+]=NNN(NS(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/H4N6O6S2/c1-2-3-4-6(14(10,11)12)5-13(7,8)9/h4-5H,(H,7,8,9)(H,10,11,12)
InChIKeyREZNXPXGPKPUNE-UHFFFAOYSA-N
MW248.20 g/mol
LogP-1.87
Rot. Bonds5

About (2-diazohydrazinyl)-(sulfoamino)sulfamic acid

(2-diazohydrazinyl)-(sulfoamino)sulfamic acid (PubChem CID 151702972) has the molecular formula H4N6O6S2 and a molecular weight of 248.20 g/mol. Its IUPAC name is (2-diazohydrazinyl)-(sulfoamino)sulfamic acid.

Molecular Properties

Compound Name(2-diazohydrazinyl)-(sulfoamino)sulfamic acid
PubChem CID151702972
Molecular FormulaH4N6O6S2
Molecular Weight248.20 g/mol
Exact Mass247.96
IUPAC Name(2-diazohydrazinyl)-(sulfoamino)sulfamic acid
SMILES[N-]=[N+]=NNN(NS(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/H4N6O6S2/c1-2-3-4-6(14(10,11)12)5-13(7,8)9/h4-5H,(H,7,8,9)(H,10,11,12)
InChIKeyREZNXPXGPKPUNE-UHFFFAOYSA-N
XLogP-1.87
TPSA184.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-diazohydrazinyl)-(sulfoamino)sulfamic acid?
The IUPAC name of (2-diazohydrazinyl)-(sulfoamino)sulfamic acid (CID 151702972) is (2-diazohydrazinyl)-(sulfoamino)sulfamic acid.
What is the SMILES notation for (2-diazohydrazinyl)-(sulfoamino)sulfamic acid?
The canonical SMILES for (2-diazohydrazinyl)-(sulfoamino)sulfamic acid is [N-]=[N+]=NNN(NS(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of (2-diazohydrazinyl)-(sulfoamino)sulfamic acid?
The InChIKey is REZNXPXGPKPUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N6O6S2/c1-2-3-4-6(14(10,11)12)5-13(7,8)9/h4-5H,(H,7,8,9)(H,10,11,12).
What are the key properties of (2-diazohydrazinyl)-(sulfoamino)sulfamic acid?
(2-diazohydrazinyl)-(sulfoamino)sulfamic acid has a molecular weight of 248.20 g/mol, XLogP of -1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diazohydrazinyl)-(sulfoamino)sulfamic acid is sourced from PubChem (CID 151702972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).