tetraethylazanium;undecane-1-sulfonic acid

C19H44NO3S+ — CID 174871658

IUPACtetraethylazanium;undecane-1-sulfonic acid
SMILESCCCCCCCCCCCS(=O)(=O)O.CC[N+](CC)(CC)CC
InChIInChI=1S/C11H24O3S.C8H20N/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14;1-5-9(6-2,7-3)8-4/h2-11H2,1H3,(H,12,13,14);5-8H2,1-4H3/q;+1
InChIKeyHWXXEFCOJYIUPT-UHFFFAOYSA-N
MW366.63 g/mol
LogP5.29
Rot. Bonds14

About tetraethylazanium;undecane-1-sulfonic acid

tetraethylazanium;undecane-1-sulfonic acid (PubChem CID 174871658) has the molecular formula C19H44NO3S+ and a molecular weight of 366.63 g/mol. Its IUPAC name is tetraethylazanium;undecane-1-sulfonic acid.

Molecular Properties

Compound Nametetraethylazanium;undecane-1-sulfonic acid
PubChem CID174871658
Molecular FormulaC19H44NO3S+
Molecular Weight366.63 g/mol
Exact Mass366.30
IUPAC Nametetraethylazanium;undecane-1-sulfonic acid
SMILESCCCCCCCCCCCS(=O)(=O)O.CC[N+](CC)(CC)CC
InChIInChI=1S/C11H24O3S.C8H20N/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14;1-5-9(6-2,7-3)8-4/h2-11H2,1H3,(H,12,13,14);5-8H2,1-4H3/q;+1
InChIKeyHWXXEFCOJYIUPT-UHFFFAOYSA-N
XLogP5.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecyl-diethyl-(4-sulfobutyl)azanium
CID 57238263
decane-1-sulfonic acid
CID 157391186
azanium octadecane-1-sulfonic acid
CID 20560144
decane-1-sulfonic acid;silver
CID 72587294
azane;octadecane-1-sulfonic acid
CID 173437409
copper;dodecane-1-sulfonic acid
CID 87837218
CID 87263567
CID 87263567
magnesium;hydride;triacontane-1-sulfonic acid
CID 173018039
magnesium;dodecane-1-sulfonic acid;hydride
CID 173017577
potassium;hexane-1-sulfonic acid;hydride
CID 173172538
gold;pentane-1-sulfonic acid
CID 174800543
tri(pentadecyl)-(3-sulfopropyl)azanium
CID 101285425

Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;undecane-1-sulfonic acid?
The IUPAC name of tetraethylazanium;undecane-1-sulfonic acid (CID 174871658) is tetraethylazanium;undecane-1-sulfonic acid.
What is the SMILES notation for tetraethylazanium;undecane-1-sulfonic acid?
The canonical SMILES for tetraethylazanium;undecane-1-sulfonic acid is CCCCCCCCCCCS(=O)(=O)O.CC[N+](CC)(CC)CC.
What is the InChIKey of tetraethylazanium;undecane-1-sulfonic acid?
The InChIKey is HWXXEFCOJYIUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S.C8H20N/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14;1-5-9(6-2,7-3)8-4/h2-11H2,1H3,(H,12,13,14);5-8H2,1-4H3/q;+1.
What are the key properties of tetraethylazanium;undecane-1-sulfonic acid?
tetraethylazanium;undecane-1-sulfonic acid has a molecular weight of 366.63 g/mol, XLogP of 5.29, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;undecane-1-sulfonic acid is sourced from PubChem (CID 174871658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).