4-[2-(4-methylphenyl)sulfanylethyl]morpholine

C13H19NOS — CID 21317501

IUPAC4-[2-(4-methylphenyl)sulfanylethyl]morpholine
SMILESCc1ccc(SCCN2CCOCC2)cc1
InChIInChI=1S/C13H19NOS/c1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14/h2-5H,6-11H2,1H3
InChIKeyUABFUFNFRDZEHI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.42
Rot. Bonds4

About 4-[2-(4-methylphenyl)sulfanylethyl]morpholine

4-[2-(4-methylphenyl)sulfanylethyl]morpholine (PubChem CID 21317501) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)sulfanylethyl]morpholine
PubChem CID21317501
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-[2-(4-methylphenyl)sulfanylethyl]morpholine
SMILESCc1ccc(SCCN2CCOCC2)cc1
InChIInChI=1S/C13H19NOS/c1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14/h2-5H,6-11H2,1H3
InChIKeyUABFUFNFRDZEHI-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751
1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one
CID 10265632
(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 67069266
4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane
CID 143457208
1-[2-(4-methylphenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033334
1-[2-(4-methylphenyl)sulfanylethyl]-1,4-diazepane
CID 43162549
cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone
CID 82165144
3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753
4-[2-[2-chloro-5-(2-morpholin-4-ylethylsulfanyl)phenyl]sulfanylethyl]morpholine;methanesulfonic acid
CID 21163755
1-methyl-4-[3-(4-methylphenyl)sulfanylpropyl]piperazine;hydrochloride
CID 2992853
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)sulfanylethyl]morpholine?
The IUPAC name of 4-[2-(4-methylphenyl)sulfanylethyl]morpholine (CID 21317501) is 4-[2-(4-methylphenyl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-methylphenyl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-(4-methylphenyl)sulfanylethyl]morpholine is Cc1ccc(SCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)sulfanylethyl]morpholine?
The InChIKey is UABFUFNFRDZEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14/h2-5H,6-11H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)sulfanylethyl]morpholine?
4-[2-(4-methylphenyl)sulfanylethyl]morpholine has a molecular weight of 237.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)sulfanylethyl]morpholine is sourced from PubChem (CID 21317501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).