triethyl(sulfo)azanium

C6H16NO3S+ — CID 54129973

IUPACtriethyl(sulfo)azanium
SMILESCC[N+](CC)(CC)S(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-4-7(5-2,6-3)11(8,9)10/h4-6H2,1-3H3/p+1
InChIKeyAHILOSUFDJRLJY-UHFFFAOYSA-O
MW182.26 g/mol
LogP0.67
Rot. Bonds4

About triethyl(sulfo)azanium

triethyl(sulfo)azanium (PubChem CID 54129973) has the molecular formula C6H16NO3S+ and a molecular weight of 182.26 g/mol. Its IUPAC name is triethyl(sulfo)azanium.

Molecular Properties

Compound Nametriethyl(sulfo)azanium
PubChem CID54129973
Molecular FormulaC6H16NO3S+
Molecular Weight182.26 g/mol
Exact Mass182.08
IUPAC Nametriethyl(sulfo)azanium
SMILESCC[N+](CC)(CC)S(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-4-7(5-2,6-3)11(8,9)10/h4-6H2,1-3H3/p+1
InChIKeyAHILOSUFDJRLJY-UHFFFAOYSA-O
XLogP0.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethyl-dihydroxy-sulfoazanium
CID 54500104
CID 172802604
CID 172802604
methanesulfonic acid;triethyl(methyl)azanium
CID 87743130
cobalt;ethanesulfonic acid
CID 162463828
ethanesulfonic acid;hexahydrofluoride
CID 174503180
ethanesulfonic acid;zinc
CID 87105443
butane;sulfur dioxide;sulfuric acid
CID 174729220
carbamoyloxysulfonyl(triethyl)azanium
CID 118981824
CID 87129852
CID 87129852
ethanol;iron;sulfuric acid
CID 174907324
ethanol;sulfuric acid;hydrate
CID 86634241
ethanol;silver;sulfuric acid
CID 174392237

Frequently Asked Questions

What is the IUPAC name of triethyl(sulfo)azanium?
The IUPAC name of triethyl(sulfo)azanium (CID 54129973) is triethyl(sulfo)azanium.
What is the SMILES notation for triethyl(sulfo)azanium?
The canonical SMILES for triethyl(sulfo)azanium is CC[N+](CC)(CC)S(=O)(=O)O.
What is the InChIKey of triethyl(sulfo)azanium?
The InChIKey is AHILOSUFDJRLJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15NO3S/c1-4-7(5-2,6-3)11(8,9)10/h4-6H2,1-3H3/p+1.
What are the key properties of triethyl(sulfo)azanium?
triethyl(sulfo)azanium has a molecular weight of 182.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(sulfo)azanium is sourced from PubChem (CID 54129973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).