diethyl(methyl)azanium;hydrogen sulfate

C5H15NO4S — CID 22023487

IUPACdiethyl(methyl)azanium;hydrogen sulfate
SMILESCC[NH+](C)CC.O=S(=O)([O-])O
InChIInChI=1S/C5H13N.H2O4S/c1-4-6(3)5-2;1-5(2,3)4/h4-5H2,1-3H3;(H2,1,2,3,4)
InChIKeyXLOUGJKOJPVZMT-UHFFFAOYSA-N
MW185.24 g/mol
LogP-1.45
Rot. Bonds2

About diethyl(methyl)azanium;hydrogen sulfate

diethyl(methyl)azanium;hydrogen sulfate (PubChem CID 22023487) has the molecular formula C5H15NO4S and a molecular weight of 185.24 g/mol. Its IUPAC name is diethyl(methyl)azanium;hydrogen sulfate.

Molecular Properties

Compound Namediethyl(methyl)azanium;hydrogen sulfate
PubChem CID22023487
Molecular FormulaC5H15NO4S
Molecular Weight185.24 g/mol
Exact Mass185.07
IUPAC Namediethyl(methyl)azanium;hydrogen sulfate
SMILESCC[NH+](C)CC.O=S(=O)([O-])O
InChIInChI=1S/C5H13N.H2O4S/c1-4-6(3)5-2;1-5(2,3)4/h4-5H2,1-3H3;(H2,1,2,3,4)
InChIKeyXLOUGJKOJPVZMT-UHFFFAOYSA-N
XLogP-1.45
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl(methyl)azanium;hydrogen sulfate?
The IUPAC name of diethyl(methyl)azanium;hydrogen sulfate (CID 22023487) is diethyl(methyl)azanium;hydrogen sulfate.
What is the SMILES notation for diethyl(methyl)azanium;hydrogen sulfate?
The canonical SMILES for diethyl(methyl)azanium;hydrogen sulfate is CC[NH+](C)CC.O=S(=O)([O-])O.
What is the InChIKey of diethyl(methyl)azanium;hydrogen sulfate?
The InChIKey is XLOUGJKOJPVZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.H2O4S/c1-4-6(3)5-2;1-5(2,3)4/h4-5H2,1-3H3;(H2,1,2,3,4).
What are the key properties of diethyl(methyl)azanium;hydrogen sulfate?
diethyl(methyl)azanium;hydrogen sulfate has a molecular weight of 185.24 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methyl)azanium;hydrogen sulfate is sourced from PubChem (CID 22023487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).