ethyl(dimethyl)azanium;hydrogen sulfate

C4H13NO4S — CID 156631439

IUPACethyl(dimethyl)azanium;hydrogen sulfate
SMILESCC[NH+](C)C.O=S(=O)([O-])O
InChIInChI=1S/C4H11N.H2O4S/c1-4-5(2)3;1-5(2,3)4/h4H2,1-3H3;(H2,1,2,3,4)
InChIKeyAQHOKHIQNCYFTI-UHFFFAOYSA-N
MW171.22 g/mol
LogP-1.84
Rot. Bonds1

About ethyl(dimethyl)azanium;hydrogen sulfate

ethyl(dimethyl)azanium;hydrogen sulfate (PubChem CID 156631439) has the molecular formula C4H13NO4S and a molecular weight of 171.22 g/mol. Its IUPAC name is ethyl(dimethyl)azanium;hydrogen sulfate.

Molecular Properties

Compound Nameethyl(dimethyl)azanium;hydrogen sulfate
PubChem CID156631439
Molecular FormulaC4H13NO4S
Molecular Weight171.22 g/mol
Exact Mass171.06
IUPAC Nameethyl(dimethyl)azanium;hydrogen sulfate
SMILESCC[NH+](C)C.O=S(=O)([O-])O
InChIInChI=1S/C4H11N.H2O4S/c1-4-5(2)3;1-5(2,3)4/h4H2,1-3H3;(H2,1,2,3,4)
InChIKeyAQHOKHIQNCYFTI-UHFFFAOYSA-N
XLogP-1.84
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 5-1.84
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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Related Compounds

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strontium hydrogen sulfate
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hydrogen sulfate;trimethylsulfanium
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diethyl(sulfo)azanium
CID 132531496
sodium;hydrogen peroxide;hydrogen sulfate
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CID 20581843
CID 20581843
hydrogen sulfate;hydron;silver
CID 173307708
didecyl(dimethyl)azanium;hydrogen sulfate
CID 11618701

Frequently Asked Questions

What is the IUPAC name of ethyl(dimethyl)azanium;hydrogen sulfate?
The IUPAC name of ethyl(dimethyl)azanium;hydrogen sulfate (CID 156631439) is ethyl(dimethyl)azanium;hydrogen sulfate.
What is the SMILES notation for ethyl(dimethyl)azanium;hydrogen sulfate?
The canonical SMILES for ethyl(dimethyl)azanium;hydrogen sulfate is CC[NH+](C)C.O=S(=O)([O-])O.
What is the InChIKey of ethyl(dimethyl)azanium;hydrogen sulfate?
The InChIKey is AQHOKHIQNCYFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.H2O4S/c1-4-5(2)3;1-5(2,3)4/h4H2,1-3H3;(H2,1,2,3,4).
What are the key properties of ethyl(dimethyl)azanium;hydrogen sulfate?
ethyl(dimethyl)azanium;hydrogen sulfate has a molecular weight of 171.22 g/mol, XLogP of -1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dimethyl)azanium;hydrogen sulfate is sourced from PubChem (CID 156631439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).