sodium;tetraethylazanium;sulfate

C8H20NNaO4S — CID 139985326

IUPACsodium;tetraethylazanium;sulfate
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])[O-].[Na+]
InChIInChI=1S/C8H20N.Na.H2O4S/c1-5-9(6-2,7-3)8-4;;1-5(2,3)4/h5-8H2,1-4H3;;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyRAKWZYANAUAXTC-UHFFFAOYSA-L
MW249.31 g/mol
LogP-2.45
Rot. Bonds4

About sodium;tetraethylazanium;sulfate

sodium;tetraethylazanium;sulfate (PubChem CID 139985326) has the molecular formula C8H20NNaO4S and a molecular weight of 249.31 g/mol. Its IUPAC name is sodium;tetraethylazanium;sulfate.

Molecular Properties

Compound Namesodium;tetraethylazanium;sulfate
PubChem CID139985326
Molecular FormulaC8H20NNaO4S
Molecular Weight249.31 g/mol
Exact Mass249.10
IUPAC Namesodium;tetraethylazanium;sulfate
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])[O-].[Na+]
InChIInChI=1S/C8H20N.Na.H2O4S/c1-5-9(6-2,7-3)8-4;;1-5(2,3)4/h5-8H2,1-4H3;;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyRAKWZYANAUAXTC-UHFFFAOYSA-L
XLogP-2.45
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-2.45
H-Bond Donors ≤ 50
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

bis(triethyl(propyl)azanium);sulfate
CID 175166373
bis(triethyl(hexadecyl)azanium);sulfate
CID 139922163
1,1-difluorobutane-1-sulfonate;tetraethylazanium
CID 122481605
dodecane-1-sulfonate;tetraethylazanium
CID 88607705
hydron;2-(triethylazaniumyl)ethanesulfonate
CID 101285365
tetraethylazanium hydroxide
CID 6509
iron(2+);tetraethylazanium
CID 159930273
1,1,2,2,3,3,4,4-octafluoropentane;bis(tetraethylazanium);sulfate
CID 173083838
tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate
CID 145140201
sodium;ethanesulfonate;hydrate
CID 23680479
phosphonato phosphate;tetrakis(tetraethylazanium)
CID 140535854
disodium;bis(tetradecane);sulfate
CID 173098136

Frequently Asked Questions

What is the IUPAC name of sodium;tetraethylazanium;sulfate?
The IUPAC name of sodium;tetraethylazanium;sulfate (CID 139985326) is sodium;tetraethylazanium;sulfate.
What is the SMILES notation for sodium;tetraethylazanium;sulfate?
The canonical SMILES for sodium;tetraethylazanium;sulfate is CC[N+](CC)(CC)CC.O=S(=O)([O-])[O-].[Na+].
What is the InChIKey of sodium;tetraethylazanium;sulfate?
The InChIKey is RAKWZYANAUAXTC-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H20N.Na.H2O4S/c1-5-9(6-2,7-3)8-4;;1-5(2,3)4/h5-8H2,1-4H3;;(H2,1,2,3,4)/q2*+1;/p-2.
What are the key properties of sodium;tetraethylazanium;sulfate?
sodium;tetraethylazanium;sulfate has a molecular weight of 249.31 g/mol, XLogP of -2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tetraethylazanium;sulfate is sourced from PubChem (CID 139985326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).