methanesulfonate;tetraethylazanium

C9H23NO3S — CID 19819108

IUPACmethanesulfonate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.CS(=O)(=O)[O-]
InChIInChI=1S/C8H20N.CH4O3S/c1-5-9(6-2,7-3)8-4;1-5(2,3)4/h5-8H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyBXXOINVHLUGMHI-UHFFFAOYSA-M
MW225.35 g/mol
LogP1.04
Rot. Bonds4

About methanesulfonate;tetraethylazanium

methanesulfonate;tetraethylazanium (PubChem CID 19819108) has the molecular formula C9H23NO3S and a molecular weight of 225.35 g/mol. Its IUPAC name is methanesulfonate;tetraethylazanium.

Molecular Properties

Compound Namemethanesulfonate;tetraethylazanium
PubChem CID19819108
Molecular FormulaC9H23NO3S
Molecular Weight225.35 g/mol
Exact Mass225.14
IUPAC Namemethanesulfonate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.CS(=O)(=O)[O-]
InChIInChI=1S/C8H20N.CH4O3S/c1-5-9(6-2,7-3)8-4;1-5(2,3)4/h5-8H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyBXXOINVHLUGMHI-UHFFFAOYSA-M
XLogP1.04
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;tetraethylazanium?
The IUPAC name of methanesulfonate;tetraethylazanium (CID 19819108) is methanesulfonate;tetraethylazanium.
What is the SMILES notation for methanesulfonate;tetraethylazanium?
The canonical SMILES for methanesulfonate;tetraethylazanium is CC[N+](CC)(CC)CC.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;tetraethylazanium?
The InChIKey is BXXOINVHLUGMHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.CH4O3S/c1-5-9(6-2,7-3)8-4;1-5(2,3)4/h5-8H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1.
What are the key properties of methanesulfonate;tetraethylazanium?
methanesulfonate;tetraethylazanium has a molecular weight of 225.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;tetraethylazanium is sourced from PubChem (CID 19819108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).