diethylazanium;tetradecyl sulfate

C18H41NO4S — CID 15775301

IUPACdiethylazanium;tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC
InChIInChI=1S/C14H30O4S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-5-4-2/h2-14H2,1H3,(H,15,16,17);5H,3-4H2,1-2H3
InChIKeyMZGVGSDHRFIPOK-UHFFFAOYSA-N
MW367.60 g/mol
LogP3.75
Rot. Bonds16

About diethylazanium;tetradecyl sulfate

diethylazanium;tetradecyl sulfate (PubChem CID 15775301) has the molecular formula C18H41NO4S and a molecular weight of 367.60 g/mol. Its IUPAC name is diethylazanium;tetradecyl sulfate.

Molecular Properties

Compound Namediethylazanium;tetradecyl sulfate
PubChem CID15775301
Molecular FormulaC18H41NO4S
Molecular Weight367.60 g/mol
Exact Mass367.28
IUPAC Namediethylazanium;tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC
InChIInChI=1S/C14H30O4S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-5-4-2/h2-14H2,1H3,(H,15,16,17);5H,3-4H2,1-2H3
InChIKeyMZGVGSDHRFIPOK-UHFFFAOYSA-N
XLogP3.75
TPSA83.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.60
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 diethylazanium;tetradecyl sulfate?
The IUPAC name of diethylazanium;tetradecyl sulfate (CID 15775301) is diethylazanium;tetradecyl sulfate.
What is the SMILES notation for diethylazanium;tetradecyl sulfate?
The canonical SMILES for diethylazanium;tetradecyl sulfate is CCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC.
What is the InChIKey of diethylazanium;tetradecyl sulfate?
The InChIKey is MZGVGSDHRFIPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-5-4-2/h2-14H2,1H3,(H,15,16,17);5H,3-4H2,1-2H3.
What are the key properties of diethylazanium;tetradecyl sulfate?
diethylazanium;tetradecyl sulfate has a molecular weight of 367.60 g/mol, XLogP of 3.75, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium;tetradecyl sulfate is sourced from PubChem (CID 15775301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).