3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one

C14H19NO2S — CID 894134

IUPAC3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(SCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-12-2-4-13(5-3-12)18-11-6-14(16)15-7-9-17-10-8-15/h2-5H,6-11H2,1H3
InChIKeyLHWVCJVZPUPBPF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.34
Rot. Bonds4

About 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one

3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 894134) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID894134
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(SCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-12-2-4-13(5-3-12)18-11-6-14(16)15-7-9-17-10-8-15/h2-5H,6-11H2,1H3
InChIKeyLHWVCJVZPUPBPF-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one (CID 894134) is 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one is Cc1ccc(SCCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is LHWVCJVZPUPBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-12-2-4-13(5-3-12)18-11-6-14(16)15-7-9-17-10-8-15/h2-5H,6-11H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 265.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 894134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).