azanium;urea;disulfate

CH8N3O9S2-3 — CID 23111519

IUPACazanium;urea;disulfate
SMILESNC(N)=O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+]
InChIInChI=1S/CH4N2O.H3N.2H2O4S/c2-1(3)4;;2*1-5(2,3)4/h(H4,2,3,4);1H3;2*(H2,1,2,3,4)/p-3
InChIKeyJGNZOLMSMHGIED-UHFFFAOYSA-K
MW270.22 g/mol
LogP-3.28
Rot. Bonds

About azanium;urea;disulfate

azanium;urea;disulfate (PubChem CID 23111519) has the molecular formula CH8N3O9S2-3 and a molecular weight of 270.22 g/mol. Its IUPAC name is azanium;urea;disulfate.

Molecular Properties

Compound Nameazanium;urea;disulfate
PubChem CID23111519
Molecular FormulaCH8N3O9S2-3
Molecular Weight270.22 g/mol
Exact Mass269.97
IUPAC Nameazanium;urea;disulfate
SMILESNC(N)=O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+]
InChIInChI=1S/CH4N2O.H3N.2H2O4S/c2-1(3)4;;2*1-5(2,3)4/h(H4,2,3,4);1H3;2*(H2,1,2,3,4)/p-3
InChIKeyJGNZOLMSMHGIED-UHFFFAOYSA-K
XLogP-3.28
TPSA266.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-3.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanium;urea;disulfate?
The IUPAC name of azanium;urea;disulfate (CID 23111519) is azanium;urea;disulfate.
What is the SMILES notation for azanium;urea;disulfate?
The canonical SMILES for azanium;urea;disulfate is NC(N)=O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].
What is the InChIKey of azanium;urea;disulfate?
The InChIKey is JGNZOLMSMHGIED-UHFFFAOYSA-K. The full InChI is InChI=1S/CH4N2O.H3N.2H2O4S/c2-1(3)4;;2*1-5(2,3)4/h(H4,2,3,4);1H3;2*(H2,1,2,3,4)/p-3.
What are the key properties of azanium;urea;disulfate?
azanium;urea;disulfate has a molecular weight of 270.22 g/mol, XLogP of -3.28, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;urea;disulfate is sourced from PubChem (CID 23111519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).