diazanium;N-(sulfonatoamino)sulfamate

H10N4O6S2 — CID 53384544

IUPACdiazanium;N-(sulfonatoamino)sulfamate
SMILESO=S(=O)([O-])NNS(=O)(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/H4N2O6S2.2H3N/c3-9(4,5)1-2-10(6,7)8;;/h1-2H,(H,3,4,5)(H,6,7,8);2*1H3
InChIKeyLVLNKGKSELZCKK-UHFFFAOYSA-N
MW226.24 g/mol
LogP-2.25
Rot. Bonds3

About diazanium;N-(sulfonatoamino)sulfamate

diazanium;N-(sulfonatoamino)sulfamate (PubChem CID 53384544) has the molecular formula H10N4O6S2 and a molecular weight of 226.24 g/mol. Its IUPAC name is diazanium;N-(sulfonatoamino)sulfamate.

Molecular Properties

Compound Namediazanium;N-(sulfonatoamino)sulfamate
PubChem CID53384544
Molecular FormulaH10N4O6S2
Molecular Weight226.24 g/mol
Exact Mass226.00
IUPAC Namediazanium;N-(sulfonatoamino)sulfamate
SMILESO=S(=O)([O-])NNS(=O)(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/H4N2O6S2.2H3N/c3-9(4,5)1-2-10(6,7)8;;/h1-2H,(H,3,4,5)(H,6,7,8);2*1H3
InChIKeyLVLNKGKSELZCKK-UHFFFAOYSA-N
XLogP-2.25
TPSA211.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 diazanium;N-(sulfonatoamino)sulfamate?
The IUPAC name of diazanium;N-(sulfonatoamino)sulfamate (CID 53384544) is diazanium;N-(sulfonatoamino)sulfamate.
What is the SMILES notation for diazanium;N-(sulfonatoamino)sulfamate?
The canonical SMILES for diazanium;N-(sulfonatoamino)sulfamate is O=S(=O)([O-])NNS(=O)(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;N-(sulfonatoamino)sulfamate?
The InChIKey is LVLNKGKSELZCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O6S2.2H3N/c3-9(4,5)1-2-10(6,7)8;;/h1-2H,(H,3,4,5)(H,6,7,8);2*1H3.
What are the key properties of diazanium;N-(sulfonatoamino)sulfamate?
diazanium;N-(sulfonatoamino)sulfamate has a molecular weight of 226.24 g/mol, XLogP of -2.25, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;N-(sulfonatoamino)sulfamate is sourced from PubChem (CID 53384544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).