2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide

C15H22N2O2S — CID 84758159

IUPAC2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide
SMILESCOc1cccc(C(C(N)=S)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C15H22N2O2S/c1-10-8-17(9-11(2)19-10)14(15(16)20)12-5-4-6-13(7-12)18-3/h4-7,10-11,14H,8-9H2,1-3H3,(H2,16,20)
InChIKeyYLTSJNRWVNWRAK-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.13
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide

2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide (PubChem CID 84758159) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide
PubChem CID84758159
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide
SMILESCOc1cccc(C(C(N)=S)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C15H22N2O2S/c1-10-8-17(9-11(2)19-10)14(15(16)20)12-5-4-6-13(7-12)18-3/h4-7,10-11,14H,8-9H2,1-3H3,(H2,16,20)
InChIKeyYLTSJNRWVNWRAK-UHFFFAOYSA-N
XLogP2.13
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide
CID 84750141
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione
CID 40963220
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide
CID 62779115
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 9116613
(2R)-2-(2,4-dimethoxyphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30070601
5-[(S)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 27280508
N-(2-amino-4-methoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779396
1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956038
1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol
CID 106667955
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid
CID 84746481

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide (CID 84758159) is 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide is COc1cccc(C(C(N)=S)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide?
The InChIKey is YLTSJNRWVNWRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-8-17(9-11(2)19-10)14(15(16)20)12-5-4-6-13(7-12)18-3/h4-7,10-11,14H,8-9H2,1-3H3,(H2,16,20).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide?
2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide has a molecular weight of 294.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide is sourced from PubChem (CID 84758159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).