methanesulfonic acid;triethyl(methyl)azanium

C8H22NO3S+ — CID 87743130

IUPACmethanesulfonic acid;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.CS(=O)(=O)O
InChIInChI=1S/C7H18N.CH4O3S/c1-5-8(4,6-2)7-3;1-5(2,3)4/h5-7H2,1-4H3;1H3,(H,2,3,4)/q+1;
InChIKeyVQAWBZYRRWFGGQ-UHFFFAOYSA-N
MW212.33 g/mol
LogP1.00
Rot. Bonds3

About methanesulfonic acid;triethyl(methyl)azanium

methanesulfonic acid;triethyl(methyl)azanium (PubChem CID 87743130) has the molecular formula C8H22NO3S+ and a molecular weight of 212.33 g/mol. Its IUPAC name is methanesulfonic acid;triethyl(methyl)azanium.

Molecular Properties

Compound Namemethanesulfonic acid;triethyl(methyl)azanium
PubChem CID87743130
Molecular FormulaC8H22NO3S+
Molecular Weight212.33 g/mol
Exact Mass212.13
IUPAC Namemethanesulfonic acid;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.CS(=O)(=O)O
InChIInChI=1S/C7H18N.CH4O3S/c1-5-8(4,6-2)7-3;1-5(2,3)4/h5-7H2,1-4H3;1H3,(H,2,3,4)/q+1;
InChIKeyVQAWBZYRRWFGGQ-UHFFFAOYSA-N
XLogP1.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 51.00
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

CID 87129852
CID 87129852
propan-2-yl hydrogen sulfate;triethyl(methyl)azanium
CID 174759318
methanesulfonic acid;methylsulfanylmethane
CID 174896398
perchloric acid;triethyl(methyl)azanium
CID 87764447
(Z)-but-2-enedioic acid;triethyl(methyl)azanium
CID 87389837
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
ethane;methanesulfonic acid
CID 87194848
methanesulfonic acid;stibane
CID 173129060
methane;methanesulfonic acid
CID 87535456
CID 72786756
CID 72786756
dodecyl-ethyl-dimethylazanium;methanesulfonic acid
CID 87724332

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;triethyl(methyl)azanium?
The IUPAC name of methanesulfonic acid;triethyl(methyl)azanium (CID 87743130) is methanesulfonic acid;triethyl(methyl)azanium.
What is the SMILES notation for methanesulfonic acid;triethyl(methyl)azanium?
The canonical SMILES for methanesulfonic acid;triethyl(methyl)azanium is CC[N+](C)(CC)CC.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;triethyl(methyl)azanium?
The InChIKey is VQAWBZYRRWFGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.CH4O3S/c1-5-8(4,6-2)7-3;1-5(2,3)4/h5-7H2,1-4H3;1H3,(H,2,3,4)/q+1;.
What are the key properties of methanesulfonic acid;triethyl(methyl)azanium?
methanesulfonic acid;triethyl(methyl)azanium has a molecular weight of 212.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;triethyl(methyl)azanium is sourced from PubChem (CID 87743130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).