1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one

C15H21NO2S — CID 10265632

IUPAC1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one
SMILESCc1ccc(SCC(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-13-2-4-15(5-3-13)19-12-14(17)6-7-16-8-10-18-11-9-16/h2-5H,6-12H2,1H3
InChIKeyZCCWWZYGISLXTO-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one

1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one (PubChem CID 10265632) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one
PubChem CID10265632
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one
SMILESCc1ccc(SCC(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-13-2-4-15(5-3-13)19-12-14(17)6-7-16-8-10-18-11-9-16/h2-5H,6-12H2,1H3
InChIKeyZCCWWZYGISLXTO-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 67069266
2-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutanoic acid
CID 57349289
4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-one
CID 66064775
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
1-(4-methylphenyl)sulfanyl-4-methylsulfonylbutan-2-one
CID 66064583
1-(4-methylphenyl)sulfanyloctan-2-one
CID 66065161
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470
5-methoxy-1-(4-methylphenyl)sulfanylpentan-2-one
CID 114853994
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 29138448

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one (CID 10265632) is 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one is Cc1ccc(SCC(=O)CCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one?
The InChIKey is ZCCWWZYGISLXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-13-2-4-15(5-3-13)19-12-14(17)6-7-16-8-10-18-11-9-16/h2-5H,6-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one?
1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one has a molecular weight of 279.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one is sourced from PubChem (CID 10265632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).