2-methoxysulfonyloxyethyl(trimethyl)azanium

C6H16NO4S+ — CID 57352198

IUPAC2-methoxysulfonyloxyethyl(trimethyl)azanium
SMILESCOS(=O)(=O)OCC[N+](C)(C)C
InChIInChI=1S/C6H16NO4S/c1-7(2,3)5-6-11-12(8,9)10-4/h5-6H2,1-4H3/q+1
InChIKeyMOZCVVAPWPUIET-UHFFFAOYSA-N
MW198.26 g/mol
LogP-0.40
Rot. Bonds5

About 2-methoxysulfonyloxyethyl(trimethyl)azanium

2-methoxysulfonyloxyethyl(trimethyl)azanium (PubChem CID 57352198) has the molecular formula C6H16NO4S+ and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-methoxysulfonyloxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-methoxysulfonyloxyethyl(trimethyl)azanium
PubChem CID57352198
Molecular FormulaC6H16NO4S+
Molecular Weight198.26 g/mol
Exact Mass198.08
IUPAC Name2-methoxysulfonyloxyethyl(trimethyl)azanium
SMILESCOS(=O)(=O)OCC[N+](C)(C)C
InChIInChI=1S/C6H16NO4S/c1-7(2,3)5-6-11-12(8,9)10-4/h5-6H2,1-4H3/q+1
InChIKeyMOZCVVAPWPUIET-UHFFFAOYSA-N
XLogP-0.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-methoxysulfonyloxyethyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium
CID 87410375
hexadecanoate;2-methoxysulfonyloxyethyl(trimethyl)azanium
CID 87410901
methyl 2-sulfanylethyl sulfate
CID 58758404
3,3-dihydroxypropyl methyl sulfate
CID 174855888
azane;2-hydroxyethyl methyl sulfate
CID 87122976
CID 158400651
CID 158400651
3-hydroxypropyl methyl sulfate
CID 54367099
methyl 3-oxopropyl sulfate
CID 54346494
azane;methyl octadecyl sulfate
CID 89401609
diethyl-(2-methoxysulfonyloxyethyl)-[2-(2-methylbutanoyloxy)ethyl]azanium
CID 167097388
3-aminopropyl methyl sulfate;N,N-dimethylmethanamine
CID 175534169
3-cyanopropyl methyl sulfate
CID 54357579

Frequently Asked Questions

What is the IUPAC name of 2-methoxysulfonyloxyethyl(trimethyl)azanium?
The IUPAC name of 2-methoxysulfonyloxyethyl(trimethyl)azanium (CID 57352198) is 2-methoxysulfonyloxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-methoxysulfonyloxyethyl(trimethyl)azanium?
The canonical SMILES for 2-methoxysulfonyloxyethyl(trimethyl)azanium is COS(=O)(=O)OCC[N+](C)(C)C.
What is the InChIKey of 2-methoxysulfonyloxyethyl(trimethyl)azanium?
The InChIKey is MOZCVVAPWPUIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO4S/c1-7(2,3)5-6-11-12(8,9)10-4/h5-6H2,1-4H3/q+1.
What are the key properties of 2-methoxysulfonyloxyethyl(trimethyl)azanium?
2-methoxysulfonyloxyethyl(trimethyl)azanium has a molecular weight of 198.26 g/mol, XLogP of -0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxysulfonyloxyethyl(trimethyl)azanium is sourced from PubChem (CID 57352198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).