2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine

C16H25NO2S — CID 2992887

IUPAC2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine
SMILESCC1CN(CCOCCSc2ccccc2)CC(C)O1
InChIInChI=1S/C16H25NO2S/c1-14-12-17(13-15(2)19-14)8-9-18-10-11-20-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyPUAYDDVQOHDRIZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.90
Rot. Bonds7

About 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine

2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine (PubChem CID 2992887) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine
PubChem CID2992887
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine
SMILESCC1CN(CCOCCSc2ccccc2)CC(C)O1
InChIInChI=1S/C16H25NO2S/c1-14-12-17(13-15(2)19-14)8-9-18-10-11-20-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyPUAYDDVQOHDRIZ-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
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 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine (CID 2992887) is 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine is CC1CN(CCOCCSc2ccccc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine?
The InChIKey is PUAYDDVQOHDRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-14-12-17(13-15(2)19-14)8-9-18-10-11-20-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine?
2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine has a molecular weight of 295.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine is sourced from PubChem (CID 2992887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).