1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone

C16H23NO3S — CID 86981373

IUPAC1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone
SMILESCCOc1ccc(SCC(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H23NO3S/c1-4-19-13-5-7-14(8-6-13)21-11-15(18)17-9-10-20-16(2,3)12-17/h5-8H,4,9-12H2,1-3H3
InChIKeyWCRLGAITTPJZES-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.81
Rot. Bonds5

About 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone

1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone (PubChem CID 86981373) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone
PubChem CID86981373
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone
SMILESCCOc1ccc(SCC(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H23NO3S/c1-4-19-13-5-7-14(8-6-13)21-11-15(18)17-9-10-20-16(2,3)12-17/h5-8H,4,9-12H2,1-3H3
InChIKeyWCRLGAITTPJZES-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-ethoxyphenyl)sulfanylacetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496339
2-(4-ethoxyphenyl)sulfanyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60957510
2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 55564198
(2,2-dimethylmorpholin-4-yl)-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 35025276
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(4-ethoxyphenyl)sulfanylethanone;hydrochloride
CID 119662845
2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine
CID 43592587
2-(4-ethoxyphenyl)sulfanyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119396535
2-(4-ethoxyphenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55518199
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 86981388
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-ethoxyphenyl)sulfanylethanone;hydrochloride
CID 119594432
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone
CID 90537392
2-(4-ethoxyphenyl)sulfanyl-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79028920

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone (CID 86981373) is 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone is CCOc1ccc(SCC(=O)N2CCOC(C)(C)C2)cc1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone?
The InChIKey is WCRLGAITTPJZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-19-13-5-7-14(8-6-13)21-11-15(18)17-9-10-20-16(2,3)12-17/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone?
1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone has a molecular weight of 309.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone is sourced from PubChem (CID 86981373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).