methyl sulfate;tris(2-hydroxyethyl)azanium

C7H19NO7S — CID 3017555

IUPACmethyl sulfate;tris(2-hydroxyethyl)azanium
SMILESCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.CH4O4S/c8-4-1-7(2-5-9)3-6-10;1-5-6(2,3)4/h8-10H,1-6H2;1H3,(H,2,3,4)
InChIKeyHNISBEDGGYMSJH-UHFFFAOYSA-N
MW261.30 g/mol
LogP-4.06
Rot. Bonds7

About methyl sulfate;tris(2-hydroxyethyl)azanium

methyl sulfate;tris(2-hydroxyethyl)azanium (PubChem CID 3017555) has the molecular formula C7H19NO7S and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl sulfate;tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namemethyl sulfate;tris(2-hydroxyethyl)azanium
PubChem CID3017555
Molecular FormulaC7H19NO7S
Molecular Weight261.30 g/mol
Exact Mass261.09
IUPAC Namemethyl sulfate;tris(2-hydroxyethyl)azanium
SMILESCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.CH4O4S/c8-4-1-7(2-5-9)3-6-10;1-5-6(2,3)4/h8-10H,1-6H2;1H3,(H,2,3,4)
InChIKeyHNISBEDGGYMSJH-UHFFFAOYSA-N
XLogP-4.06
TPSA131.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-4.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

Ethanol, 2,2'-iminobis-, sulfate (1:1)
CID 163199
Ethanol, 2,2'-iminobis-, compd. with sulfur dioxide (1:?)
CID 6454530
Ethanol, 2-(methylamino)-, compd. with sulfur dioxide (1:?)
CID 161342
Sulfuric acid, mono-C10-16-alkyl esters, compds. with diethanolamine
CID 88324201
Bis(2-hydroxyethyl)ammonium sulphamate
CID 6451951
Ethanol, 2,2'-iminobis-, sulfate (2:1)
CID 161307
Triethanolammonium
CID 3777650
Ethanol, 2,2'-iminobis-, sulfite (1:1)
CID 171750
Cobalt(2+), bis(2,2'-iminodiethanol)-, sulfate (1:1)
CID 37503
Bis(bis(2-hydroxyethyl)ammonium) sulphite
CID 44148132
Bis(2-hydroxyethyl)azanium sulfamate
CID 57349967
2-(Ethylamino)ethyl hydrogen sulfate
CID 101958

Frequently Asked Questions

What is the IUPAC name of methyl sulfate;tris(2-hydroxyethyl)azanium?
The IUPAC name of methyl sulfate;tris(2-hydroxyethyl)azanium (CID 3017555) is methyl sulfate;tris(2-hydroxyethyl)azanium.
What is the SMILES notation for methyl sulfate;tris(2-hydroxyethyl)azanium?
The canonical SMILES for methyl sulfate;tris(2-hydroxyethyl)azanium is COS(=O)(=O)[O-].OCC[NH+](CCO)CCO.
What is the InChIKey of methyl sulfate;tris(2-hydroxyethyl)azanium?
The InChIKey is HNISBEDGGYMSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.CH4O4S/c8-4-1-7(2-5-9)3-6-10;1-5-6(2,3)4/h8-10H,1-6H2;1H3,(H,2,3,4).
What are the key properties of methyl sulfate;tris(2-hydroxyethyl)azanium?
methyl sulfate;tris(2-hydroxyethyl)azanium has a molecular weight of 261.30 g/mol, XLogP of -4.06, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl sulfate;tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 3017555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).