2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone

C14H19NO2S — CID 143724139

IUPAC2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
SMILESCCc1ccc(OCC(=O)N2CCSCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-2-12-3-5-13(6-4-12)17-11-14(16)15-7-9-18-10-8-15/h3-6H,2,7-11H2,1H3
InChIKeyJXHBQAQLKVMCOA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.20
Rot. Bonds4

About 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone

2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone (PubChem CID 143724139) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
PubChem CID143724139
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
SMILESCCc1ccc(OCC(=O)N2CCSCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-2-12-3-5-13(6-4-12)17-11-14(16)15-7-9-18-10-8-15/h3-6H,2,7-11H2,1H3
InChIKeyJXHBQAQLKVMCOA-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-oxo-2-thiomorpholin-4-ylethoxy)phenyl]boronic acid
CID 67452037
2-(4-aminophenoxy)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418710
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119517242
4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione
CID 66085533
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
2-(4-chlorophenoxy)-1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 7330223
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone;hydrochloride
CID 119622083
2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 55573955
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796
1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110366791

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone (CID 143724139) is 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone is CCc1ccc(OCC(=O)N2CCSCC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone?
The InChIKey is JXHBQAQLKVMCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-12-3-5-13(6-4-12)17-11-14(16)15-7-9-18-10-8-15/h3-6H,2,7-11H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone?
2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone has a molecular weight of 265.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 143724139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).