methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate

C7H20N2O6S — CID 139078709

IUPACmethanol;2-morpholin-4-ium-4-ylethylazanium;sulfate
SMILESCO.O=S(=O)([O-])[O-].[NH3+]CC[NH+]1CCOCC1
InChIInChI=1S/C6H14N2O.CH4O.H2O4S/c7-1-2-8-3-5-9-6-4-8;1-2;1-5(2,3)4/h1-7H2;2H,1H3;(H2,1,2,3,4)
InChIKeyIBETYLLXPQMHTH-UHFFFAOYSA-N
MW260.31 g/mol
LogP-4.59
Rot. Bonds2

About methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate

methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate (PubChem CID 139078709) has the molecular formula C7H20N2O6S and a molecular weight of 260.31 g/mol. Its IUPAC name is methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate.

Molecular Properties

Compound Namemethanol;2-morpholin-4-ium-4-ylethylazanium;sulfate
PubChem CID139078709
Molecular FormulaC7H20N2O6S
Molecular Weight260.31 g/mol
Exact Mass260.10
IUPAC Namemethanol;2-morpholin-4-ium-4-ylethylazanium;sulfate
SMILESCO.O=S(=O)([O-])[O-].[NH3+]CC[NH+]1CCOCC1
InChIInChI=1S/C6H14N2O.CH4O.H2O4S/c7-1-2-8-3-5-9-6-4-8;1-2;1-5(2,3)4/h1-7H2;2H,1H3;(H2,1,2,3,4)
InChIKeyIBETYLLXPQMHTH-UHFFFAOYSA-N
XLogP-4.59
TPSA141.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-4.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate?
The IUPAC name of methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate (CID 139078709) is methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate.
What is the SMILES notation for methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate?
The canonical SMILES for methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate is CO.O=S(=O)([O-])[O-].[NH3+]CC[NH+]1CCOCC1.
What is the InChIKey of methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate?
The InChIKey is IBETYLLXPQMHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.CH4O.H2O4S/c7-1-2-8-3-5-9-6-4-8;1-2;1-5(2,3)4/h1-7H2;2H,1H3;(H2,1,2,3,4).
What are the key properties of methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate?
methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate has a molecular weight of 260.31 g/mol, XLogP of -4.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-morpholin-4-ium-4-ylethylazanium;sulfate is sourced from PubChem (CID 139078709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).