Basic information
- Standard SMILES
CCC1(C)C(=O)NCCN1C(=O)c1cc(C(C)(C)C)sc1N- InChIKey
PIUNTSNUPLDCAX-UHFFFAOYSA-N- Molecular formula
- C16H25N3O2S
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.16674822
Names & identifiers
- Preferred name
- 4-(2-Amino-5-tert-butylthiophene-3-carbonyl)-3-ethyl-3-methylpiperazin-2-one
- IUPAC
- 4-(2-amino-5-tert-butylthiophene-3-carbonyl)-3-ethyl-3-methylpiperazin-2-one
Names & synonyms
SCHEMBL3552427PIUNTSNUPLDCAX-UHFFFAOYSA-N4-(2-amino-5-tert-butylthiophene-3-carbonyl)-3-ethyl-3-methylpiperazin-2-one
Database identifiers
- PubChem CID
- 58679278
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 463
Related reactions
2 records
Compound notes
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