1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one

C14H19NO2S — CID 22352859

IUPAC1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
SMILESCSc1ccc(C(=O)C(C)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-11(15-7-9-17-10-8-15)14(16)12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyVRCACYBCECBXLM-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.31
Rot. Bonds4

About 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one

1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one (PubChem CID 22352859) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
PubChem CID22352859
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
SMILESCSc1ccc(C(=O)C(C)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-11(15-7-9-17-10-8-15)14(16)12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyVRCACYBCECBXLM-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one (CID 22352859) is 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one is CSc1ccc(C(=O)C(C)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is VRCACYBCECBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11(15-7-9-17-10-8-15)14(16)12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one?
1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 265.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 22352859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).