1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone

C16H23NOS — CID 103595309

IUPAC1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)C2CSCCN2C)c(C)c1
InChIInChI=1S/C16H23NOS/c1-11-7-12(2)14(13(3)8-11)9-16(18)15-10-19-6-5-17(15)4/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyZVNYAVZKMNYCAA-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone

1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 103595309) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID103595309
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)C2CSCCN2C)c(C)c1
InChIInChI=1S/C16H23NOS/c1-11-7-12(2)14(13(3)8-11)9-16(18)15-10-19-6-5-17(15)4/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyZVNYAVZKMNYCAA-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

S-[(3Z)-3-ethylidene-1-[1-(2-fluorophenyl)-2-oxohexyl]piperidin-4-yl] ethanethioate
CID 143370857
1-(1,1-Dimethylpiperidin-1-ium-2-yl)-2-(4-fluoro-2,6-dimethylphenyl)ethanone
CID 159819662
1-(1,1-Dimethylpiperidin-1-ium-2-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]ethanone
CID 160701803
1-(1,1-Dimethylpiperidin-1-ium-2-yl)-2-(3-fluoro-2,6-dimethylphenyl)ethanone
CID 161218790
1-[3-Methyl-3-(2,4,6-trimethylphenyl)cyclobutyl]-2-(thiomorpholin-4-yl)ethanone
CID 1277476
1-(2,4-Dimethylphenyl)-2-piperidin-1-ylpropan-1-one
CID 214281
1-(4-Fluorophenyl)-3-(3-methylthiomorpholin-4-yl)propan-2-one
CID 64039776
1-(2-Fluorophenyl)-3-(3-methylthiomorpholin-4-yl)propan-2-one
CID 64039981
1-(2,6-Dimethylthiomorpholin-4-yl)-3-(2-fluorophenyl)propan-2-one
CID 64117212
1-(2,6-Dimethylthiomorpholin-4-yl)-3-(4-fluorophenyl)propan-2-one
CID 64118990
(5-Fluoro-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595159
2-(2,6-Difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595199

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone (CID 103595309) is 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)C2CSCCN2C)c(C)c1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is ZVNYAVZKMNYCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-11-7-12(2)14(13(3)8-11)9-16(18)15-10-19-6-5-17(15)4/h7-8,15H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 277.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 103595309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).