N-ethyl-5-oxothiomorpholine-3-carboxamide

C7H12N2O2S — CID 91458971

IUPACN-ethyl-5-oxothiomorpholine-3-carboxamide
SMILESCCNC(=O)C1CSCC(=O)N1
InChIInChI=1S/C7H12N2O2S/c1-2-8-7(11)5-3-12-4-6(10)9-5/h5H,2-4H2,1H3,(H,8,11)(H,9,10)
InChIKeyDXADRARSTNEKRY-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.65
Rot. Bonds2

About N-ethyl-5-oxothiomorpholine-3-carboxamide

N-ethyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 91458971) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is N-ethyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-oxothiomorpholine-3-carboxamide
PubChem CID91458971
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC NameN-ethyl-5-oxothiomorpholine-3-carboxamide
SMILESCCNC(=O)C1CSCC(=O)N1
InChIInChI=1S/C7H12N2O2S/c1-2-8-7(11)5-3-12-4-6(10)9-5/h5H,2-4H2,1H3,(H,8,11)(H,9,10)
InChIKeyDXADRARSTNEKRY-UHFFFAOYSA-N
XLogP-0.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333
3-Thiomorpholinone, 2,2,5-trimethyl-
CID 95533
2,5-Dimethyl-5,6-dihydro-2H-1,4-thiazin-3-ol
CID 95534
N-Acetyl-DL-methioninamide
CID 536763
6-Methylthiomorpholine-2,5-dione
CID 12923678
Propionic acid, thio-, S-2-(2-aminoacetamido)ethyl ester, hydrobromide
CID 24843809
3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
S-[2-[[(2S)-2-aminopropanoyl]amino]ethyl] ethanethioate;hydrobromide
CID 18631475
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
S-[2-[[(2R)-2-acetamido-3-acetylsulfanyl-propanoyl]amino]ethyl] ethanethioate
CID 516558
Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, hydrobromide
CID 57215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of N-ethyl-5-oxothiomorpholine-3-carboxamide (CID 91458971) is N-ethyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for N-ethyl-5-oxothiomorpholine-3-carboxamide is CCNC(=O)C1CSCC(=O)N1.
What is the InChIKey of N-ethyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is DXADRARSTNEKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-2-8-7(11)5-3-12-4-6(10)9-5/h5H,2-4H2,1H3,(H,8,11)(H,9,10).
What are the key properties of N-ethyl-5-oxothiomorpholine-3-carboxamide?
N-ethyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 188.25 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 91458971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).