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

C13H23N3O3S — CID 152661590

IUPAC2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
SMILESCC1(C)SC(CC(=O)N2CCOCC2)CNC1C(N)=O
InChIInChI=1S/C13H23N3O3S/c1-13(2)11(12(14)18)15-8-9(20-13)7-10(17)16-3-5-19-6-4-16/h9,11,15H,3-8H2,1-2H3,(H2,14,18)
InChIKeyZJQVXTMXMGOVET-UHFFFAOYSA-N
MW301.41 g/mol
LogP-0.43
Rot. Bonds3

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

2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide (PubChem CID 152661590) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
PubChem CID152661590
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
SMILESCC1(C)SC(CC(=O)N2CCOCC2)CNC1C(N)=O
InChIInChI=1S/C13H23N3O3S/c1-13(2)11(12(14)18)15-8-9(20-13)7-10(17)16-3-5-19-6-4-16/h9,11,15H,3-8H2,1-2H3,(H2,14,18)
InChIKeyZJQVXTMXMGOVET-UHFFFAOYSA-N
XLogP-0.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383077
4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
(2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
CID 10082125
(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
CID 58677294
(2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide
CID 67164235
(2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
CID 67166346
(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one
CID 69154222
(2S)-2-amino-N-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-4-methylsulfanylbutanamide
CID 71083505
2-(Ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
CID 137397368
3,4-Dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027124
6-(2-Morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027130
4-(2-Morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027143

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The IUPAC name of 2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide (CID 152661590) is 2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for 2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for 2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide is CC1(C)SC(CC(=O)N2CCOCC2)CNC1C(N)=O.
What is the InChIKey of 2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The InChIKey is ZJQVXTMXMGOVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-13(2)11(12(14)18)15-8-9(20-13)7-10(17)16-3-5-19-6-4-16/h9,11,15H,3-8H2,1-2H3,(H2,14,18).
What are the key properties of 2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide has a molecular weight of 301.41 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 152661590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).