azanium;tetramethylazanium;sulfate

C4H16N2O4S — CID 18925505

IUPACazanium;tetramethylazanium;sulfate
SMILESC[N+](C)(C)C.O=S(=O)([O-])[O-].[NH4+]
InChIInChI=1S/C4H12N.H3N.H2O4S/c1-5(2,3)4;;1-5(2,3)4/h1-4H3;1H3;(H2,1,2,3,4)/q+1;;/p-1
InChIKeyBPTJEAZDOVCDEF-UHFFFAOYSA-M
MW188.25 g/mol
LogP-0.64
Rot. Bonds

About azanium;tetramethylazanium;sulfate

azanium;tetramethylazanium;sulfate (PubChem CID 18925505) has the molecular formula C4H16N2O4S and a molecular weight of 188.25 g/mol. Its IUPAC name is azanium;tetramethylazanium;sulfate.

Molecular Properties

Compound Nameazanium;tetramethylazanium;sulfate
PubChem CID18925505
Molecular FormulaC4H16N2O4S
Molecular Weight188.25 g/mol
Exact Mass188.08
IUPAC Nameazanium;tetramethylazanium;sulfate
SMILESC[N+](C)(C)C.O=S(=O)([O-])[O-].[NH4+]
InChIInChI=1S/C4H12N.H3N.H2O4S/c1-5(2,3)4;;1-5(2,3)4/h1-4H3;1H3;(H2,1,2,3,4)/q+1;;/p-1
InChIKeyBPTJEAZDOVCDEF-UHFFFAOYSA-M
XLogP-0.64
TPSA116.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'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;tetramethylazanium;sulfate?
The IUPAC name of azanium;tetramethylazanium;sulfate (CID 18925505) is azanium;tetramethylazanium;sulfate.
What is the SMILES notation for azanium;tetramethylazanium;sulfate?
The canonical SMILES for azanium;tetramethylazanium;sulfate is C[N+](C)(C)C.O=S(=O)([O-])[O-].[NH4+].
What is the InChIKey of azanium;tetramethylazanium;sulfate?
The InChIKey is BPTJEAZDOVCDEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.H3N.H2O4S/c1-5(2,3)4;;1-5(2,3)4/h1-4H3;1H3;(H2,1,2,3,4)/q+1;;/p-1.
What are the key properties of azanium;tetramethylazanium;sulfate?
azanium;tetramethylazanium;sulfate has a molecular weight of 188.25 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;tetramethylazanium;sulfate is sourced from PubChem (CID 18925505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).