[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

C18H25NO4S — CID 4996782

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(C)c(SCC(=O)OCC(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C18H25NO4S/c1-12-5-6-13(2)16(7-12)24-11-18(21)22-10-17(20)19-8-14(3)23-15(4)9-19/h5-7,14-15H,8-11H2,1-4H3
InChIKeyRFCUVZBASHCMKP-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.57
Rot. Bonds5

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate (PubChem CID 4996782) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
PubChem CID4996782
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(C)c(SCC(=O)OCC(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C18H25NO4S/c1-12-5-6-13(2)16(7-12)24-11-18(21)22-10-17(20)19-8-14(3)23-15(4)9-19/h5-7,14-15H,8-11H2,1-4H3
InChIKeyRFCUVZBASHCMKP-UHFFFAOYSA-N
XLogP2.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-[2-[2-(2-methylphenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate
CID 8899345
2,6-Dimethyl-4-{[(4-methylphenyl)thio]acetyl}morpholine
CID 2952676
[2-[2-[[2-[2-(2,5-Dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 24979944
[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 4129758
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 4618452
4-{[(2-Methylphenyl)thio]acetyl}-2-(trifluoromethyl)morpholine
CID 56879461
2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95558739
2-(2-methylphenyl)sulfanyl-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95558740
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-methylphenyl)sulfanylethanone
CID 977720
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-methylphenyl)sulfanylethanone
CID 977721
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methylphenyl)sulfanylethanone
CID 977722
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-(2-methylphenyl)sulfanylacetate
CID 2087405

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate (CID 4996782) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate is Cc1ccc(C)c(SCC(=O)OCC(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate?
The InChIKey is RFCUVZBASHCMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-12-5-6-13(2)16(7-12)24-11-18(21)22-10-17(20)19-8-14(3)23-15(4)9-19/h5-7,14-15H,8-11H2,1-4H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate has a molecular weight of 351.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 4996782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).