6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide

C13H22N4O4S — CID 76726321

IUPAC6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCCNC(=O)CCNC(=O)CC1SCC(C(=O)NC)NC1=O
InChIInChI=1S/C13H22N4O4S/c1-3-15-10(18)4-5-16-11(19)6-9-13(21)17-8(7-22-9)12(20)14-2/h8-9H,3-7H2,1-2H3,(H,14,20)(H,15,18)(H,16,19)(H,17,21)
InChIKeyQFOCQAWGDAWNMT-UHFFFAOYSA-N
MW330.41 g/mol
LogP-1.63
Rot. Bonds7

About 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide

6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 76726321) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide
PubChem CID76726321
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCCNC(=O)CCNC(=O)CC1SCC(C(=O)NC)NC1=O
InChIInChI=1S/C13H22N4O4S/c1-3-15-10(18)4-5-16-11(19)6-9-13(21)17-8(7-22-9)12(20)14-2/h8-9H,3-7H2,1-2H3,(H,14,20)(H,15,18)(H,16,19)(H,17,21)
InChIKeyQFOCQAWGDAWNMT-UHFFFAOYSA-N
XLogP-1.63
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide with MolForge

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Related Compounds

6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide
CID 91093224
6-[2-(benzylamino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
CID 3158850
(3S,6S)-6-[2-(benzylamino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 6966137
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 113411080
(3R,6S)-6-[2-(2-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
CID 29101775
ethyl (3R,6R)-6-[2-(4-acetamidoanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 41475275
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
ethyl (3R,6S)-6-[2-(3,5-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 41287011
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
5-oxo-6-[2-oxo-2-(4-propan-2-ylanilino)ethyl]thiomorpholine-3-carboxylic acid
CID 17190499
N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356351
ethyl (3S,6S)-6-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 41475391

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide (CID 76726321) is 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide is CCNC(=O)CCNC(=O)CC1SCC(C(=O)NC)NC1=O.
What is the InChIKey of 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is QFOCQAWGDAWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-3-15-10(18)4-5-16-11(19)6-9-13(21)17-8(7-22-9)12(20)14-2/h8-9H,3-7H2,1-2H3,(H,14,20)(H,15,18)(H,16,19)(H,17,21).
What are the key properties of 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide?
6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of -1.63, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 76726321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).