1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone

C14H19NO2S — CID 62050975

IUPAC1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCSCC1
InChIInChI=1S/C14H19NO2S/c1-11-3-4-12(14(9-11)17-2)13(16)10-15-5-7-18-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyNESYDENPXQOSJN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.24
Rot. Bonds4

About 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone

1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone (PubChem CID 62050975) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
PubChem CID62050975
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCSCC1
InChIInChI=1S/C14H19NO2S/c1-11-3-4-12(14(9-11)17-2)13(16)10-15-5-7-18-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyNESYDENPXQOSJN-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
1-(5-fluoro-2-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62051168
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292
2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 102960285
1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634972
1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960703
1-(2,5-dimethylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62031456
1-(2-methoxy-4-methylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960506
1-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62024881
1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62052732
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone (CID 62050975) is 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone is COc1cc(C)ccc1C(=O)CN1CCSCC1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone?
The InChIKey is NESYDENPXQOSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11-3-4-12(14(9-11)17-2)13(16)10-15-5-7-18-8-6-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone?
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone has a molecular weight of 265.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone is sourced from PubChem (CID 62050975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).