4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine

C13H19NO2S — CID 86992155

IUPAC4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine
SMILESCSc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-17-13-4-2-12(3-5-13)16-11-8-14-6-9-15-10-7-14/h2-5H,6-11H2,1H3
InChIKeyBSDKPLHDGQKVBR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.12
Rot. Bonds5

About 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine

4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine (PubChem CID 86992155) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine
PubChem CID86992155
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine
SMILESCSc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-17-13-4-2-12(3-5-13)16-11-8-14-6-9-15-10-7-14/h2-5H,6-11H2,1H3
InChIKeyBSDKPLHDGQKVBR-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine (CID 86992155) is 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine is CSc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine?
The InChIKey is BSDKPLHDGQKVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-17-13-4-2-12(3-5-13)16-11-8-14-6-9-15-10-7-14/h2-5H,6-11H2,1H3.
What are the key properties of 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine?
4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine has a molecular weight of 253.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine is sourced from PubChem (CID 86992155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).