[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate

C16H22N2O3S — CID 95635785

IUPAC[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
SMILESCCNC(=O)COC(=O)[C@H](c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H22N2O3S/c1-2-17-14(19)12-21-16(20)15(13-6-4-3-5-7-13)18-8-10-22-11-9-18/h3-7,15H,2,8-12H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyOLHBDHOPMPZMTO-HNNXBMFYSA-N
MW322.43 g/mol
LogP1.46
Rot. Bonds6

About [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate

[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate (PubChem CID 95635785) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
PubChem CID95635785
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
SMILESCCNC(=O)COC(=O)[C@H](c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H22N2O3S/c1-2-17-14(19)12-21-16(20)15(13-6-4-3-5-7-13)18-8-10-22-11-9-18/h3-7,15H,2,8-12H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyOLHBDHOPMPZMTO-HNNXBMFYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate
CID 95306625
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
CID 95635779
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenyl-2-thiomorpholin-4-ylethanone;dihydrochloride
CID 119647225
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate
CID 8543837
(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95293657
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
(2S)-1-(4-acetylpiperazin-1-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 95151755
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate (CID 95635785) is [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate is CCNC(=O)COC(=O)[C@H](c1ccccc1)N1CCSCC1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate?
The InChIKey is OLHBDHOPMPZMTO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-17-14(19)12-21-16(20)15(13-6-4-3-5-7-13)18-8-10-22-11-9-18/h3-7,15H,2,8-12H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate?
[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate has a molecular weight of 322.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate is sourced from PubChem (CID 95635785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).