2-(4-methoxyphenyl)thiomorpholin-3-one

C11H13NO2S — CID 14480955

IUPAC2-(4-methoxyphenyl)thiomorpholin-3-one
SMILESCOc1ccc(C2SCCNC2=O)cc1
InChIInChI=1S/C11H13NO2S/c1-14-9-4-2-8(3-5-9)10-11(13)12-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyJHLKRYQVMUSOSN-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.60
Rot. Bonds2

About 2-(4-methoxyphenyl)thiomorpholin-3-one

2-(4-methoxyphenyl)thiomorpholin-3-one (PubChem CID 14480955) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)thiomorpholin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)thiomorpholin-3-one
PubChem CID14480955
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(4-methoxyphenyl)thiomorpholin-3-one
SMILESCOc1ccc(C2SCCNC2=O)cc1
InChIInChI=1S/C11H13NO2S/c1-14-9-4-2-8(3-5-9)10-11(13)12-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyJHLKRYQVMUSOSN-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)thiomorpholin-3-one
CID 14169391
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
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CID 171840578
2-(4-methoxyphenyl)-1,3-dithiolane
CID 23175
(3S,4R)-4-(4-methoxyphenyl)-2-oxopiperidine-3-carboxylic acid
CID 140888273
(4S)-4-(4-methoxyphenyl)-1,3-diphenyl-4,6,7,8-tetrahydropyrazolo[5,4-e][1,4]thiazepine
CID 136677503
4-(4-methoxyphenyl)-1,3-diphenyl-4,6,7,8-tetrahydropyrazolo[5,4-e][1,4]thiazepine
CID 135584536
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
CID 62092299
4-(adamantane-1-carbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644969
(2R)-2-(4-methoxyphenyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 97179322
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)thiomorpholin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)thiomorpholin-3-one (CID 14480955) is 2-(4-methoxyphenyl)thiomorpholin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)thiomorpholin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)thiomorpholin-3-one is COc1ccc(C2SCCNC2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)thiomorpholin-3-one?
The InChIKey is JHLKRYQVMUSOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-14-9-4-2-8(3-5-9)10-11(13)12-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-(4-methoxyphenyl)thiomorpholin-3-one?
2-(4-methoxyphenyl)thiomorpholin-3-one has a molecular weight of 223.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)thiomorpholin-3-one is sourced from PubChem (CID 14480955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).