[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

C20H23NO4S — CID 8642798

IUPAC[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESC[C@H]1CN(C(=O)COC(=O)CSc2ccc3ccccc3c2)C[C@H](C)O1
InChIInChI=1S/C20H23NO4S/c1-14-10-21(11-15(2)25-14)19(22)12-24-20(23)13-26-18-8-7-16-5-3-4-6-17(16)9-18/h3-9,14-15H,10-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyCOKLZJXYQOGDIK-GJZGRUSLSA-N
MW373.47 g/mol
LogP3.11
Rot. Bonds5

About [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 8642798) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID8642798
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESC[C@H]1CN(C(=O)COC(=O)CSc2ccc3ccccc3c2)C[C@H](C)O1
InChIInChI=1S/C20H23NO4S/c1-14-10-21(11-15(2)25-14)19(22)12-24-20(23)13-26-18-8-7-16-5-3-4-6-17(16)9-18/h3-9,14-15H,10-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyCOKLZJXYQOGDIK-GJZGRUSLSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate with MolForge

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Related Compounds

[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132314
methyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-4-carboxylate
CID 7795692
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 7899046
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7702097
methyl (2R)-4-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]thiomorpholine-2-carboxylate
CID 9289141
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 5224731
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795699
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 102934744

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (CID 8642798) is [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is C[C@H]1CN(C(=O)COC(=O)CSc2ccc3ccccc3c2)C[C@H](C)O1.
What is the InChIKey of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is COKLZJXYQOGDIK-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-14-10-21(11-15(2)25-14)19(22)12-24-20(23)13-26-18-8-7-16-5-3-4-6-17(16)9-18/h3-9,14-15H,10-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 373.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 8642798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).