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

C11H19N3O3S — CID 141027143

IUPAC4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C11H19N3O3S/c12-11(16)9-8-18-6-3-14(9)7-10(15)13-1-4-17-5-2-13/h9H,1-8H2,(H2,12,16)
InChIKeyJTBABEPNBXMNQL-UHFFFAOYSA-N
MW273.36 g/mol
LogP-1.25
Rot. Bonds3

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

4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide (PubChem CID 141027143) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
PubChem CID141027143
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C11H19N3O3S/c12-11(16)9-8-18-6-3-14(9)7-10(15)13-1-4-17-5-2-13/h9H,1-8H2,(H2,12,16)
InChIKeyJTBABEPNBXMNQL-UHFFFAOYSA-N
XLogP-1.25
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one
CID 76684249
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
(2S)-2-amino-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
CID 10082125
1-[3-(Morpholine-4-carbonyl)-5-oxothiomorpholin-4-yl]-2-morpholin-4-ylethane-1,2-dione
CID 46182493
1-Morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione
CID 57188519
Methyl 4-(2-morpholin-4-yl-2-oxoacetyl)-5-oxothiomorpholine-3-carboxylate
CID 58498593
2-Morpholin-4-yl-1-thiomorpholin-4-ylethanone
CID 66546738
(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one
CID 69154222
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide (CID 141027143) is 4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide is NC(=O)C1CSCCN1CC(=O)N1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
The InChIKey is JTBABEPNBXMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c12-11(16)9-8-18-6-3-14(9)7-10(15)13-1-4-17-5-2-13/h9H,1-8H2,(H2,12,16).
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide?
4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide has a molecular weight of 273.36 g/mol, XLogP of -1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 141027143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).