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

C11H19N3O3S — CID 141027130

IUPAC6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
SMILESNC(=O)C1CSC(CC(=O)N2CCOCC2)CN1
InChIInChI=1S/C11H19N3O3S/c12-11(16)9-7-18-8(6-13-9)5-10(15)14-1-3-17-4-2-14/h8-9,13H,1-7H2,(H2,12,16)
InChIKeyJLRUGLNSMKIFCF-UHFFFAOYSA-N
MW273.36 g/mol
LogP-1.21
Rot. Bonds3

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

6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide (PubChem CID 141027130) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
PubChem CID141027130
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
SMILESNC(=O)C1CSC(CC(=O)N2CCOCC2)CN1
InChIInChI=1S/C11H19N3O3S/c12-11(16)9-7-18-8(6-13-9)5-10(15)14-1-3-17-4-2-14/h8-9,13H,1-7H2,(H2,12,16)
InChIKeyJLRUGLNSMKIFCF-UHFFFAOYSA-N
XLogP-1.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
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
4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
3-(Morpholine-4-carbonyl)-1,4-thiazepan-5-one
CID 71798001
N-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-3-sulfanylpropanamide
CID 177680757
(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
(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
(2S)-2-amino-N-[(2S)-4-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-4-methylsulfanylbutanamide
CID 71083506
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
4-(2-Morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027143

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The IUPAC name of 6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide (CID 141027130) is 6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for 6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for 6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide is NC(=O)C1CSC(CC(=O)N2CCOCC2)CN1.
What is the InChIKey of 6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The InChIKey is JLRUGLNSMKIFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c12-11(16)9-7-18-8(6-13-9)5-10(15)14-1-3-17-4-2-14/h8-9,13H,1-7H2,(H2,12,16).
What are the key properties of 6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide has a molecular weight of 273.36 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 141027130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).