2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone

C14H19NO2S — CID 775100

IUPAC2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone
SMILESCc1ccc(CSCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-12-2-4-13(5-3-12)10-18-11-14(16)15-6-8-17-9-7-15/h2-5H,6-11H2,1H3
InChIKeyVVGDOHZRNALGMX-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.09
Rot. Bonds4

About 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone

2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone (PubChem CID 775100) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone
PubChem CID775100
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone
SMILESCc1ccc(CSCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-12-2-4-13(5-3-12)10-18-11-14(16)15-6-8-17-9-7-15/h2-5H,6-11H2,1H3
InChIKeyVVGDOHZRNALGMX-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone (CID 775100) is 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone is Cc1ccc(CSCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is VVGDOHZRNALGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-12-2-4-13(5-3-12)10-18-11-14(16)15-6-8-17-9-7-15/h2-5H,6-11H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone?
2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 265.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 775100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).