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Basic information
- Standard SMILES
COC(=O)C1=C(N[C@H](C)c2ccccc2)CSC1- InChIKey
MZAUYSNGWTULHJ-SNVBAGLBSA-N- Molecular formula
- C14H17NO2S
- Average molar mass
- 263.36 g/mol
- Monoisotopic mass
- 263.09799996
Names & identifiers
- Preferred name
- (R)-4-(1-Phenyl-ethylamino)-2,5-dihydrothiophene-3-carboxylic acid methyl ester
- IUPAC
- methyl 4-[[(1R)-1-phenylethyl]amino]-2,5-dihydrothiophene-3-carboxylate
Names & synonyms
SCHEMBL6349882MZAUYSNGWTULHJ-SNVBAGLBSA-N(R)-4-(1-Phenyl-ethylamino)-2,5-dihydrothiophene-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69749255
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Related reactions
2 records
Compound notes
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