3-(Hydroxymethyl)-6-[2-(methylsulfanyl)ethyl]piperazine-2,5-dione
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Basic information
- CAS
677021-07-7- Standard SMILES
CSCCC1NC(=O)C(CO)NC1=O- InChIKey
JOPNRSQAOCANMK-UHFFFAOYSA-N- Molecular formula
- C8H14N2O3S
- Average molar mass
- 218.28 g/mol
- Monoisotopic mass
- 218.07251349
Names & identifiers
- Preferred name
- 3-(Hydroxymethyl)-6-[2-(methylsulfanyl)ethyl]piperazine-2,5-dione
- IUPAC
- 3-(hydroxymethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
- English name
- 2,5-Piperazinedione, 3-(hydroxymethyl)-6-[2-(methylthio)ethyl]- (9CI)
- Molecular formula
- C8H14N2O3S
- Molecular weight
- 218.27
Names & synonyms
677021-07-73-(Hydroxymethyl)-6-[2-(methylsulfanyl)ethyl]piperazine-2,5-dioneDTXSID40435675DB-2695522,5-Piperazinedione, 3-(hydroxymethyl)-6-[2-(methylthio)ethyl]-2,5-Piperazinedione, 3-(hydroxymethyl)-6-[2-(methylthio)ethyl]- (9CI)
Database identifiers
- CAS
677021-07-7- PubChem CID
- 10104797
- DTXSID
DTXSID40435675
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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