4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine

C14H21NOS — CID 134064580

IUPAC4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine
SMILESCc1ccc(CSCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NOS/c1-13-2-4-14(5-3-13)12-17-11-8-15-6-9-16-10-7-15/h2-5H,6-12H2,1H3
InChIKeyHGQAMLMJNBOAEU-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.56
Rot. Bonds5

About 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine

4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine (PubChem CID 134064580) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine
PubChem CID134064580
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine
SMILESCc1ccc(CSCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NOS/c1-13-2-4-14(5-3-13)12-17-11-8-15-6-9-16-10-7-15/h2-5H,6-12H2,1H3
InChIKeyHGQAMLMJNBOAEU-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine (CID 134064580) is 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine is Cc1ccc(CSCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine?
The InChIKey is HGQAMLMJNBOAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-13-2-4-14(5-3-13)12-17-11-8-15-6-9-16-10-7-15/h2-5H,6-12H2,1H3.
What are the key properties of 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine?
4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine has a molecular weight of 251.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine is sourced from PubChem (CID 134064580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).