Basic information
- CAS
742029-96-5- Standard SMILES
CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2cccs2)C[C@H]1C- InChIKey
SRARDYUHGVMEQI-XLIONFOSSA-N- Molecular formula
- C21H28N2OS
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.19223469
Names & identifiers
- Preferred name
- 3-Methylthiofentanyl, cis-
- IUPAC
- N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
Names & synonyms
3-Methylthiofentanyl, cis-742029-96-5UNII-19477K2H61cis-3-methylthiofentanyl(+/-)-cis-3-Methyl Thiofentanyl19477K2H61Propanamide, N-(3-methyl-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenyl-, cis-Propanamide, N-((3R,4S)-3-methyl-1-(2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenyl-, rel-SCHEMBL31128137DTXSID101036770PD045573NS00097782
Show more names
Q27252068(+/-)-cis-3-Methyl Thiofentanyl; Propanamide, N-[(3R,4S)-3-methyl-1-[2-(2-thienyl)ethyl]-4-piperidinyl]-N-phenyl-, rel-; Propanamide, N-[3-methyl-1-[2-(2-thienyl)ethyl]-4-piperidinyl]-N-phenyl-, cis- (9CI); cis-N-[1-[2-(2-Thienyl)ethyl]-3-methyl-4-piperidyl]-N-phenylpropanamide; (+/-)-cis-
Database identifiers
- CAS
742029-96-5- PubChem CID
- 91864483
- DTXSID
DTXSID101036770- UNII
- 19477K2H61
- Nikkaji
- J2.479.921B
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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