Basic information
- Standard SMILES
CCCCCCCCCN1C(=O)CC(SCCN)C1=O- InChIKey
KQXMTXGBYWAQQF-UHFFFAOYSA-N- Molecular formula
- C15H28N2O2S
- Average molar mass
- 300.5 g/mol
Names & identifiers
- Preferred name
- 3-(2-Aminoethylthio)-1-nonylpyrrolidine-2,5-dione
- IUPAC
- 3-(2-aminoethylsulfanyl)-1-nonylpyrrolidine-2,5-dione
Names & synonyms
SCHEMBL5970161KQXMTXGBYWAQQF-UHFFFAOYSA-N3-(2-Aminoethylthio)-1-nonylpyrrolidine-2,5-dione3-[(2-aminoethyl)thio]-1-nonylpyrrolidine-2,5-dione3-(2-aminoethylsulfanyl)-1-nonyl-pyrrolidine-2,5-dione
Database identifiers
- PubChem CID
- 512847
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Related reactions
1 records
Compound notes
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