triethyl(sulfo)azanium chloride

C6H16ClNO3S — CID 71739092

IUPACtriethyl(sulfo)azanium chloride
SMILESCC[N+](CC)(CC)S(=O)(=O)O.[Cl-]
InChIInChI=1S/C6H15NO3S.ClH/c1-4-7(5-2,6-3)11(8,9)10;/h4-6H2,1-3H3;1H
InChIKeyNUBCRMVJLHFGHI-UHFFFAOYSA-N
MW217.72 g/mol
LogP-2.33
Rot. Bonds4

About triethyl(sulfo)azanium chloride

triethyl(sulfo)azanium chloride (PubChem CID 71739092) has the molecular formula C6H16ClNO3S and a molecular weight of 217.72 g/mol. Its IUPAC name is triethyl(sulfo)azanium chloride.

Molecular Properties

Compound Nametriethyl(sulfo)azanium chloride
PubChem CID71739092
Molecular FormulaC6H16ClNO3S
Molecular Weight217.72 g/mol
Exact Mass217.05
IUPAC Nametriethyl(sulfo)azanium chloride
SMILESCC[N+](CC)(CC)S(=O)(=O)O.[Cl-]
InChIInChI=1S/C6H15NO3S.ClH/c1-4-7(5-2,6-3)11(8,9)10;/h4-6H2,1-3H3;1H
InChIKeyNUBCRMVJLHFGHI-UHFFFAOYSA-N
XLogP-2.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 5-2.33
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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Frequently Asked Questions

What is the IUPAC name of triethyl(sulfo)azanium chloride?
The IUPAC name of triethyl(sulfo)azanium chloride (CID 71739092) is triethyl(sulfo)azanium chloride.
What is the SMILES notation for triethyl(sulfo)azanium chloride?
The canonical SMILES for triethyl(sulfo)azanium chloride is CC[N+](CC)(CC)S(=O)(=O)O.[Cl-].
What is the InChIKey of triethyl(sulfo)azanium chloride?
The InChIKey is NUBCRMVJLHFGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S.ClH/c1-4-7(5-2,6-3)11(8,9)10;/h4-6H2,1-3H3;1H.
What are the key properties of triethyl(sulfo)azanium chloride?
triethyl(sulfo)azanium chloride has a molecular weight of 217.72 g/mol, XLogP of -2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(sulfo)azanium chloride is sourced from PubChem (CID 71739092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).