methanesulfonate;triethyl(sulfo)azanium

C7H19NO6S2 — CID 162640057

IUPACmethanesulfonate;triethyl(sulfo)azanium
SMILESCC[N+](CC)(CC)S(=O)(=O)O.CS(=O)(=O)[O-]
InChIInChI=1S/C6H15NO3S.CH4O3S/c1-4-7(5-2,6-3)11(8,9)10;1-5(2,3)4/h4-6H2,1-3H3;1H3,(H,2,3,4)
InChIKeyDKWFESBZMYSSED-UHFFFAOYSA-N
MW277.36 g/mol
LogP-0.17
Rot. Bonds4

About methanesulfonate;triethyl(sulfo)azanium

methanesulfonate;triethyl(sulfo)azanium (PubChem CID 162640057) has the molecular formula C7H19NO6S2 and a molecular weight of 277.36 g/mol. Its IUPAC name is methanesulfonate;triethyl(sulfo)azanium.

Molecular Properties

Compound Namemethanesulfonate;triethyl(sulfo)azanium
PubChem CID162640057
Molecular FormulaC7H19NO6S2
Molecular Weight277.36 g/mol
Exact Mass277.07
IUPAC Namemethanesulfonate;triethyl(sulfo)azanium
SMILESCC[N+](CC)(CC)S(=O)(=O)O.CS(=O)(=O)[O-]
InChIInChI=1S/C6H15NO3S.CH4O3S/c1-4-7(5-2,6-3)11(8,9)10;1-5(2,3)4/h4-6H2,1-3H3;1H3,(H,2,3,4)
InChIKeyDKWFESBZMYSSED-UHFFFAOYSA-N
XLogP-0.17
TPSA111.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methanesulfonate;triethyl(sulfo)azanium?
The IUPAC name of methanesulfonate;triethyl(sulfo)azanium (CID 162640057) is methanesulfonate;triethyl(sulfo)azanium.
What is the SMILES notation for methanesulfonate;triethyl(sulfo)azanium?
The canonical SMILES for methanesulfonate;triethyl(sulfo)azanium is CC[N+](CC)(CC)S(=O)(=O)O.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;triethyl(sulfo)azanium?
The InChIKey is DKWFESBZMYSSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S.CH4O3S/c1-4-7(5-2,6-3)11(8,9)10;1-5(2,3)4/h4-6H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;triethyl(sulfo)azanium?
methanesulfonate;triethyl(sulfo)azanium has a molecular weight of 277.36 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;triethyl(sulfo)azanium is sourced from PubChem (CID 162640057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).