ethyl sulfate;morpholin-4-ylazanium

C6H16N2O5S — CID 141307930

IUPACethyl sulfate;morpholin-4-ylazanium
SMILESCCOS(=O)(=O)[O-].[NH3+]N1CCOCC1
InChIInChI=1S/C4H10N2O.C2H6O4S/c5-6-1-3-7-4-2-6;1-2-6-7(3,4)5/h1-5H2;2H2,1H3,(H,3,4,5)
InChIKeyDMAHYELYSDWVGA-UHFFFAOYSA-N
MW228.27 g/mol
LogP-2.04
Rot. Bonds2

About ethyl sulfate;morpholin-4-ylazanium

ethyl sulfate;morpholin-4-ylazanium (PubChem CID 141307930) has the molecular formula C6H16N2O5S and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl sulfate;morpholin-4-ylazanium.

Molecular Properties

Compound Nameethyl sulfate;morpholin-4-ylazanium
PubChem CID141307930
Molecular FormulaC6H16N2O5S
Molecular Weight228.27 g/mol
Exact Mass228.08
IUPAC Nameethyl sulfate;morpholin-4-ylazanium
SMILESCCOS(=O)(=O)[O-].[NH3+]N1CCOCC1
InChIInChI=1S/C4H10N2O.C2H6O4S/c5-6-1-3-7-4-2-6;1-2-6-7(3,4)5/h1-5H2;2H2,1H3,(H,3,4,5)
InChIKeyDMAHYELYSDWVGA-UHFFFAOYSA-N
XLogP-2.04
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-2.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl sulfate;morpholin-4-ylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl sulfate;morpholin-4-ylazanium?
The IUPAC name of ethyl sulfate;morpholin-4-ylazanium (CID 141307930) is ethyl sulfate;morpholin-4-ylazanium.
What is the SMILES notation for ethyl sulfate;morpholin-4-ylazanium?
The canonical SMILES for ethyl sulfate;morpholin-4-ylazanium is CCOS(=O)(=O)[O-].[NH3+]N1CCOCC1.
What is the InChIKey of ethyl sulfate;morpholin-4-ylazanium?
The InChIKey is DMAHYELYSDWVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O.C2H6O4S/c5-6-1-3-7-4-2-6;1-2-6-7(3,4)5/h1-5H2;2H2,1H3,(H,3,4,5).
What are the key properties of ethyl sulfate;morpholin-4-ylazanium?
ethyl sulfate;morpholin-4-ylazanium has a molecular weight of 228.27 g/mol, XLogP of -2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl sulfate;morpholin-4-ylazanium is sourced from PubChem (CID 141307930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).