2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine

C11H23NO2S — CID 102633858

IUPAC2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine
SMILESCCSCCCOCC1CNCC(C)O1
InChIInChI=1S/C11H23NO2S/c1-3-15-6-4-5-13-9-11-8-12-7-10(2)14-11/h10-12H,3-9H2,1-2H3
InChIKeyLGFKYTKOELWLFD-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.52
Rot. Bonds7

About 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine

2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine (PubChem CID 102633858) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine
PubChem CID102633858
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine
SMILESCCSCCCOCC1CNCC(C)O1
InChIInChI=1S/C11H23NO2S/c1-3-15-6-4-5-13-9-11-8-12-7-10(2)14-11/h10-12H,3-9H2,1-2H3
InChIKeyLGFKYTKOELWLFD-UHFFFAOYSA-N
XLogP1.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine?
The IUPAC name of 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine (CID 102633858) is 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine.
What is the SMILES notation for 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine?
The canonical SMILES for 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine is CCSCCCOCC1CNCC(C)O1.
What is the InChIKey of 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine?
The InChIKey is LGFKYTKOELWLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-15-6-4-5-13-9-11-8-12-7-10(2)14-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine?
2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine has a molecular weight of 233.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanylpropoxymethyl)-6-methylmorpholine is sourced from PubChem (CID 102633858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).