aminoazanium;sulfonato sulfate

H10N4O7S2 — CID 157455926

IUPACaminoazanium;sulfonato sulfate
SMILESN[NH3+].N[NH3+].O=S(=O)([O-])OS(=O)(=O)[O-]
InChIInChI=1S/2H4N2.H2O7S2/c2*1-2;1-8(2,3)7-9(4,5)6/h2*1-2H2;(H,1,2,3)(H,4,5,6)
InChIKeyBTIWPWYKWILPFS-UHFFFAOYSA-N
MW242.23 g/mol
LogP-5.87
Rot. Bonds2

About aminoazanium;sulfonato sulfate

aminoazanium;sulfonato sulfate (PubChem CID 157455926) has the molecular formula H10N4O7S2 and a molecular weight of 242.23 g/mol. Its IUPAC name is aminoazanium;sulfonato sulfate.

Molecular Properties

Compound Nameaminoazanium;sulfonato sulfate
PubChem CID157455926
Molecular FormulaH10N4O7S2
Molecular Weight242.23 g/mol
Exact Mass242.00
IUPAC Nameaminoazanium;sulfonato sulfate
SMILESN[NH3+].N[NH3+].O=S(=O)([O-])OS(=O)(=O)[O-]
InChIInChI=1S/2H4N2.H2O7S2/c2*1-2;1-8(2,3)7-9(4,5)6/h2*1-2H2;(H,1,2,3)(H,4,5,6)
InChIKeyBTIWPWYKWILPFS-UHFFFAOYSA-N
XLogP-5.87
TPSA230.95 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-5.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze aminoazanium;sulfonato sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of aminoazanium;sulfonato sulfate?
The IUPAC name of aminoazanium;sulfonato sulfate (CID 157455926) is aminoazanium;sulfonato sulfate.
What is the SMILES notation for aminoazanium;sulfonato sulfate?
The canonical SMILES for aminoazanium;sulfonato sulfate is N[NH3+].N[NH3+].O=S(=O)([O-])OS(=O)(=O)[O-].
What is the InChIKey of aminoazanium;sulfonato sulfate?
The InChIKey is BTIWPWYKWILPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2H4N2.H2O7S2/c2*1-2;1-8(2,3)7-9(4,5)6/h2*1-2H2;(H,1,2,3)(H,4,5,6).
What are the key properties of aminoazanium;sulfonato sulfate?
aminoazanium;sulfonato sulfate has a molecular weight of 242.23 g/mol, XLogP of -5.87, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanium;sulfonato sulfate is sourced from PubChem (CID 157455926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).