disodium;N-amino-N-sulfonatosulfamate

H2N2Na2O6S2 — CID 174974724

IUPACdisodium;N-amino-N-sulfonatosulfamate
SMILESNN(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/H4N2O6S2.2Na/c1-2(9(3,4)5)10(6,7)8;;/h1H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
InChIKeyUHULCIIDDBIUAI-UHFFFAOYSA-L
MW236.14 g/mol
LogP-8.91
Rot. Bonds2

About disodium;N-amino-N-sulfonatosulfamate

disodium;N-amino-N-sulfonatosulfamate (PubChem CID 174974724) has the molecular formula H2N2Na2O6S2 and a molecular weight of 236.14 g/mol. Its IUPAC name is disodium;N-amino-N-sulfonatosulfamate.

Molecular Properties

Compound Namedisodium;N-amino-N-sulfonatosulfamate
PubChem CID174974724
Molecular FormulaH2N2Na2O6S2
Molecular Weight236.14 g/mol
Exact Mass235.91
IUPAC Namedisodium;N-amino-N-sulfonatosulfamate
SMILESNN(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/H4N2O6S2.2Na/c1-2(9(3,4)5)10(6,7)8;;/h1H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
InChIKeyUHULCIIDDBIUAI-UHFFFAOYSA-L
XLogP-8.91
TPSA143.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 5-8.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

CID 149433448
CID 149433448
N-amino-N-sulfonatosulfamate
CID 20132623

Frequently Asked Questions

What is the IUPAC name of disodium;N-amino-N-sulfonatosulfamate?
The IUPAC name of disodium;N-amino-N-sulfonatosulfamate (CID 174974724) is disodium;N-amino-N-sulfonatosulfamate.
What is the SMILES notation for disodium;N-amino-N-sulfonatosulfamate?
The canonical SMILES for disodium;N-amino-N-sulfonatosulfamate is NN(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;N-amino-N-sulfonatosulfamate?
The InChIKey is UHULCIIDDBIUAI-UHFFFAOYSA-L. The full InChI is InChI=1S/H4N2O6S2.2Na/c1-2(9(3,4)5)10(6,7)8;;/h1H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2.
What are the key properties of disodium;N-amino-N-sulfonatosulfamate?
disodium;N-amino-N-sulfonatosulfamate has a molecular weight of 236.14 g/mol, XLogP of -8.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-amino-N-sulfonatosulfamate is sourced from PubChem (CID 174974724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).