3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide

C13H23N3O3S — CID 141027124

IUPAC3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
SMILESCN1CC(CC(=O)N2CCOCC2)SCC1(C)C(N)=O
InChIInChI=1S/C13H23N3O3S/c1-13(12(14)18)9-20-10(8-15(13)2)7-11(17)16-3-5-19-6-4-16/h10H,3-9H2,1-2H3,(H2,14,18)
InChIKeyJTETTZLWTKEQIJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP-0.47
Rot. Bonds3

About 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide

3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide (PubChem CID 141027124) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
PubChem CID141027124
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
SMILESCN1CC(CC(=O)N2CCOCC2)SCC1(C)C(N)=O
InChIInChI=1S/C13H23N3O3S/c1-13(12(14)18)9-20-10(8-15(13)2)7-11(17)16-3-5-19-6-4-16/h10H,3-9H2,1-2H3,(H2,14,18)
InChIKeyJTETTZLWTKEQIJ-UHFFFAOYSA-N
XLogP-0.47
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383077
6-(2-Morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027130
4-(2-Morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027143
(2S)-2-amino-4-ethylsulfanyl-1-morpholin-4-ylbutan-1-one
CID 152057946
2,2-Dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 152661590
3-Methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one
CID 173323727
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide
CID 22690027
1-Morpholin-4-yl-2-thiomorpholin-4-ylpropan-1-one
CID 53523779
1-[4-(3-Methylsulfanylpropanoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55466796
3-Methylsulfanyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 55496225
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
CID 61430245
Ethyl 4-(1-aminocyclopropanecarbonyl)thiomorpholine-3-carboxylate
CID 65465534

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The IUPAC name of 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide (CID 141027124) is 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide is CN1CC(CC(=O)N2CCOCC2)SCC1(C)C(N)=O.
What is the InChIKey of 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The InChIKey is JTETTZLWTKEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-13(12(14)18)9-20-10(8-15(13)2)7-11(17)16-3-5-19-6-4-16/h10H,3-9H2,1-2H3,(H2,14,18).
What are the key properties of 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide has a molecular weight of 301.41 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 141027124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).