bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium

C8H20NO6S+ — CID 87410375

IUPACbis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium
SMILESCOS(=O)(=O)OCC[N+](C)(CCO)CCO
InChIInChI=1S/C8H20NO6S/c1-9(3-6-10,4-7-11)5-8-15-16(12,13)14-2/h10-11H,3-8H2,1-2H3/q+1
InChIKeyVZWSZUKCDVIGOI-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.67
Rot. Bonds9

About bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium

bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium (PubChem CID 87410375) has the molecular formula C8H20NO6S+ and a molecular weight of 258.32 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium
PubChem CID87410375
Molecular FormulaC8H20NO6S+
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Namebis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium
SMILESCOS(=O)(=O)OCC[N+](C)(CCO)CCO
InChIInChI=1S/C8H20NO6S/c1-9(3-6-10,4-7-11)5-8-15-16(12,13)14-2/h10-11H,3-8H2,1-2H3/q+1
InChIKeyVZWSZUKCDVIGOI-UHFFFAOYSA-N
XLogP-1.67
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxysulfonyloxyethyl(trimethyl)azanium
CID 57352198
azane;2-hydroxyethyl methyl sulfate
CID 87122976
bis(2-hydroxyethyl)-methyl-octadecylazanium;dimethyl sulfate
CID 87899809
3-hydroxypropyl methyl sulfate
CID 54367099
2-hydroxyethyl-(2-methoxysulfonyloxyethyl)-dimethylazanium;octadecanoate
CID 87410905
3,3-dihydroxypropyl methyl sulfate
CID 174855888
bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium
CID 59861691
ethyl-(2-hydroxyethyl)-methyl-pentylazanium;methyl sulfate
CID 174657208
methyl 2-sulfanylethyl sulfate
CID 58758404
hexadecanoate;2-methoxysulfonyloxyethyl(trimethyl)azanium
CID 87410901
ethyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-[6-(15-hydroxypentadecyl-methyl-pentadecylazaniumyl)hexyl]-methylazanium;formaldehyde;hexyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxysulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-methylazanium;methane;25-methylsulfinylpentacosan-1-ol;pentacosane
CID 157213072
tris(2-hydroxyethyl)-methylazanium tetrafluoroborate
CID 18442246

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium?
The IUPAC name of bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium (CID 87410375) is bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium.
What is the SMILES notation for bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium?
The canonical SMILES for bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium is COS(=O)(=O)OCC[N+](C)(CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium?
The InChIKey is VZWSZUKCDVIGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO6S/c1-9(3-6-10,4-7-11)5-8-15-16(12,13)14-2/h10-11H,3-8H2,1-2H3/q+1.
What are the key properties of bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium?
bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium has a molecular weight of 258.32 g/mol, XLogP of -1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium is sourced from PubChem (CID 87410375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).