6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide

C13H22N4O4S — CID 91093224

IUPAC6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCCNC(=O)C(C)NC(=O)CC1SCC(C(=O)NC)NC1=O
InChIInChI=1S/C13H22N4O4S/c1-4-15-11(19)7(2)16-10(18)5-9-13(21)17-8(6-22-9)12(20)14-3/h7-9H,4-6H2,1-3H3,(H,14,20)(H,15,19)(H,16,18)(H,17,21)
InChIKeyQJWRUIRKYYDSCZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP-1.64
Rot. Bonds6

About 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide

6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 91093224) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide
PubChem CID91093224
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide
SMILESCCNC(=O)C(C)NC(=O)CC1SCC(C(=O)NC)NC1=O
InChIInChI=1S/C13H22N4O4S/c1-4-15-11(19)7(2)16-10(18)5-9-13(21)17-8(6-22-9)12(20)14-3/h7-9H,4-6H2,1-3H3,(H,14,20)(H,15,19)(H,16,18)(H,17,21)
InChIKeyQJWRUIRKYYDSCZ-UHFFFAOYSA-N
XLogP-1.64
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide with MolForge

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Related Compounds

6-[2-[[3-(ethylamino)-3-oxopropyl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide
CID 76726321
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethylpropanamide
CID 64616764
(2R)-N-ethyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 8751402
(2S)-N-ethyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 8751407
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpropanamide
CID 79607169
N-ethyl-2-[(2-piperidin-3-ylacetyl)amino]propanamide
CID 62691243
(3S,6S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 100850418
2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 55117202
5-oxo-6-[2-oxo-2-(4-propan-2-ylanilino)ethyl]thiomorpholine-3-carboxylic acid
CID 17190499
N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide
CID 143290515
N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43579241
2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide
CID 64611012

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide (CID 91093224) is 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide is CCNC(=O)C(C)NC(=O)CC1SCC(C(=O)NC)NC1=O.
What is the InChIKey of 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is QJWRUIRKYYDSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-4-15-11(19)7(2)16-10(18)5-9-13(21)17-8(6-22-9)12(20)14-3/h7-9H,4-6H2,1-3H3,(H,14,20)(H,15,19)(H,16,18)(H,17,21).
What are the key properties of 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide?
6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of -1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 91093224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).