4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide

C7H11N3O3S — CID 150152164

IUPAC4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide
SMILESCNC(=O)N1C(=O)CSCC1C(N)=O
InChIInChI=1S/C7H11N3O3S/c1-9-7(13)10-4(6(8)12)2-14-3-5(10)11/h4H,2-3H2,1H3,(H2,8,12)(H,9,13)
InChIKeyFFLYRUNEJCFPCR-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.24
Rot. Bonds1

About 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide

4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide (PubChem CID 150152164) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide
PubChem CID150152164
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide
SMILESCNC(=O)N1C(=O)CSCC1C(N)=O
InChIInChI=1S/C7H11N3O3S/c1-9-7(13)10-4(6(8)12)2-14-3-5(10)11/h4H,2-3H2,1H3,(H2,8,12)(H,9,13)
InChIKeyFFLYRUNEJCFPCR-UHFFFAOYSA-N
XLogP-1.24
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfanylpropyl)-3-oxopiperazine-1-carboxamide
CID 172438065
5-(Ethylsulfanylmethyl)imidazolidine-2,4-dione
CID 480241
(5R)-5-(ethylsulfanylmethyl)imidazolidine-2,4-dione
CID 480240
N-butan-2-yl-2-[4-[(2-methyl-3-oxothiomorpholin-4-yl)methyl]piperazin-1-yl]acetamide
CID 53567091
L-5-Propylthiomethylhydantoin
CID 560576
S-[2-[[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoylamino]ethyl] ethanethioate
CID 9948839
N,N-dimethylthiomorpholine-3-carboxamide
CID 23090249
S-[(2R)-2-acetamido-3-(4-methylpiperazin-1-yl)-3-oxopropyl] ethanethioate
CID 24952890
4-ethyl-N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]-2,3-dioxopiperazine-1-carboxamide
CID 53940196
4-ethyl-2,3-dioxo-N-(1-sulfanylidenebutan-2-yl)piperazine-1-carboxamide
CID 54522125
4-ethyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]-2,3-dioxopiperazine-1-carboxamide
CID 57307586
CID 58119442
CID 58119442

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide?
The IUPAC name of 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide (CID 150152164) is 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide is CNC(=O)N1C(=O)CSCC1C(N)=O.
What is the InChIKey of 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide?
The InChIKey is FFLYRUNEJCFPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-9-7(13)10-4(6(8)12)2-14-3-5(10)11/h4H,2-3H2,1H3,(H2,8,12)(H,9,13).
What are the key properties of 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide?
4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide has a molecular weight of 217.25 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-5-oxothiomorpholine-3,4-dicarboxamide is sourced from PubChem (CID 150152164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).