1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one

C16H23NO2S — CID 3053169

IUPAC1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
SMILESCCSc1ccc(C(=O)C(C)CN2CCOCC2)cc1
InChIInChI=1S/C16H23NO2S/c1-3-20-15-6-4-14(5-7-15)16(18)13(2)12-17-8-10-19-11-9-17/h4-7,13H,3,8-12H2,1-2H3
InChIKeyJEUVPNZSYDBDRF-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.95
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one

1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one (PubChem CID 3053169) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
PubChem CID3053169
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
SMILESCCSc1ccc(C(=O)C(C)CN2CCOCC2)cc1
InChIInChI=1S/C16H23NO2S/c1-3-20-15-6-4-14(5-7-15)16(18)13(2)12-17-8-10-19-11-9-17/h4-7,13H,3,8-12H2,1-2H3
InChIKeyJEUVPNZSYDBDRF-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-(4-(methylthio)phenyl)-2-morpholino-1-propanone
CID 92387
2-Oxo-2-phenylethyl 2,6-dimethylmorpholine-4-carbodithioate
CID 3784095
1-Propanone, 2-methyl-3-(4-morpholinyl)-1-phenyl-
CID 211134
1-(4-(Methylsulfonyl)phenyl)-3-(piperidin-1-yl)propan-1-one
CID 214232
2-Methyl-3-morpholino-1-phenylpropan-1-one hydrochloride
CID 2848212
N,N-dimethyl-3-[4-(methylthio)benzoyl]-1-piperidinesulfonamide
CID 16187912
1-(4-(Hexylthio)-2,6-dimethylphenyl)-3-morpholinopropan-1-one
CID 44186600
1-(2-Chloro-4-(hexylthio)phenyl)-3-morpholinopropan-1-one
CID 44186613
1-(4-(Hexylsulfonyl)-2,6-dimethylphenyl)-3-morpholinopropan-1-one
CID 44186702
(1-Methylpiperidin-3-yl)[4-(methylthio)phenyl]methanone
CID 16191177
(1-But-2-ynoylpiperidin-3-yl)[4-(methylthio)phenyl]methanone
CID 23723236
Propiophenone, 4'-methylsulfonyl-3-piperidino-, hydrochloride
CID 214231

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one (CID 3053169) is 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one is CCSc1ccc(C(=O)C(C)CN2CCOCC2)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one?
The InChIKey is JEUVPNZSYDBDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-3-20-15-6-4-14(5-7-15)16(18)13(2)12-17-8-10-19-11-9-17/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one?
1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one has a molecular weight of 293.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 3053169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).