sulfoazanide;tetrabutylazanium

C16H38N2O3S — CID 88740579

IUPACsulfoazanide;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[NH-]S(=O)(=O)O
InChIInChI=1S/C16H36N.H2NO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2-,1,2,3,4)/q+1;-1
InChIKeyBZGRKRZRJCLJCK-UHFFFAOYSA-N
MW338.56 g/mol
LogP4.84
Rot. Bonds12

About sulfoazanide;tetrabutylazanium

sulfoazanide;tetrabutylazanium (PubChem CID 88740579) has the molecular formula C16H38N2O3S and a molecular weight of 338.56 g/mol. Its IUPAC name is sulfoazanide;tetrabutylazanium.

Molecular Properties

Compound Namesulfoazanide;tetrabutylazanium
PubChem CID88740579
Molecular FormulaC16H38N2O3S
Molecular Weight338.56 g/mol
Exact Mass338.26
IUPAC Namesulfoazanide;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[NH-]S(=O)(=O)O
InChIInChI=1S/C16H36N.H2NO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2-,1,2,3,4)/q+1;-1
InChIKeyBZGRKRZRJCLJCK-UHFFFAOYSA-N
XLogP4.84
TPSA78.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.84
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

sulfuric acid;tetrabutylazanium;hydroiodide
CID 175178056
hydrogen sulfate;tetrabutylazanium
CID 520578
butyl(trihexadecyl)azanium;hydrogen sulfate
CID 140570198
ethanesulfonic acid;tetrahexylazanium
CID 87092635
tributyl(sulfomethyl)azanium bromide
CID 175342911
tri(pentadecyl)-(3-sulfopropyl)azanium
CID 101285425
2-sulfoethyl-tri(tetracosyl)azanium
CID 101285404
tri(nonyl)-(2-sulfoethyl)azanium
CID 101285374
hydrogen sulfate;hydroxy sulfate;pentakis(tetrabutylazanium);sulfate
CID 11115952
potassium;hydroperoxy hydrogen sulfate;tetrabutylazanium
CID 173021966
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937

Frequently Asked Questions

What is the IUPAC name of sulfoazanide;tetrabutylazanium?
The IUPAC name of sulfoazanide;tetrabutylazanium (CID 88740579) is sulfoazanide;tetrabutylazanium.
What is the SMILES notation for sulfoazanide;tetrabutylazanium?
The canonical SMILES for sulfoazanide;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.[NH-]S(=O)(=O)O.
What is the InChIKey of sulfoazanide;tetrabutylazanium?
The InChIKey is BZGRKRZRJCLJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.H2NO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2-,1,2,3,4)/q+1;-1.
What are the key properties of sulfoazanide;tetrabutylazanium?
sulfoazanide;tetrabutylazanium has a molecular weight of 338.56 g/mol, XLogP of 4.84, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfoazanide;tetrabutylazanium is sourced from PubChem (CID 88740579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).