Basic information
- CAS
76333-71-6- Standard SMILES
CCOC(=O)/C=C1/S[C@H](N2CCCCC2)C(=O)N1C- InChIKey
ZCKKHYXUQFTBIK-LXKVQUBZSA-N- Molecular formula
- C13H20N2O3S
- Average molar mass
- 284.38 g/mol
- Monoisotopic mass
- 284.11946368
Names & identifiers
- Preferred name
- ethyl (S)-(3-methyl-4-oxo-5-piperidin-1-ylthiazolidin-2-ylidene)acetate
- IUPAC
- ethyl (2E)-2-[(5S)-3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene]acetate
Names & synonyms
EINECS 278-423-776333-71-6Ethyl (S)-(3-methyl-4-oxo-5-piperidin-1-ylthiazolidin-2-ylidene)acetateRefChem:341850ZCKKHYXUQFTBIK-LXKVQUBZSA-NNS00071550
Database identifiers
- CAS
76333-71-6- PubChem CID
- 643753
- EC Number
- 278-423-7
- Nikkaji
- J319.309H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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