4-(3-methylsulfanylphenyl)morpholine

C11H15NOS — CID 123797079

IUPAC4-(3-methylsulfanylphenyl)morpholine
SMILESCSc1cccc(N2CCOCC2)c1
InChIInChI=1S/C11H15NOS/c1-14-11-4-2-3-10(9-11)12-5-7-13-8-6-12/h2-4,9H,5-8H2,1H3
InChIKeyKJGYDIXRFIIURP-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.25
Rot. Bonds2

About 4-(3-methylsulfanylphenyl)morpholine

4-(3-methylsulfanylphenyl)morpholine (PubChem CID 123797079) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-(3-methylsulfanylphenyl)morpholine.

Molecular Properties

Compound Name4-(3-methylsulfanylphenyl)morpholine
PubChem CID123797079
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4-(3-methylsulfanylphenyl)morpholine
SMILESCSc1cccc(N2CCOCC2)c1
InChIInChI=1S/C11H15NOS/c1-14-11-4-2-3-10(9-11)12-5-7-13-8-6-12/h2-4,9H,5-8H2,1H3
InChIKeyKJGYDIXRFIIURP-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylphenyl)morpholine?
The IUPAC name of 4-(3-methylsulfanylphenyl)morpholine (CID 123797079) is 4-(3-methylsulfanylphenyl)morpholine.
What is the SMILES notation for 4-(3-methylsulfanylphenyl)morpholine?
The canonical SMILES for 4-(3-methylsulfanylphenyl)morpholine is CSc1cccc(N2CCOCC2)c1.
What is the InChIKey of 4-(3-methylsulfanylphenyl)morpholine?
The InChIKey is KJGYDIXRFIIURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-14-11-4-2-3-10(9-11)12-5-7-13-8-6-12/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-(3-methylsulfanylphenyl)morpholine?
4-(3-methylsulfanylphenyl)morpholine has a molecular weight of 209.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylphenyl)morpholine is sourced from PubChem (CID 123797079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).