5-Cyclohex-1-enyl-3-aminothiophene-2-carboxylic acid methyl ester

HCID 57795401

Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N
InChIKey
XYRRRTDDQUCNQM-UHFFFAOYSA-N
Molecular formula
C12H15NO2S
Average molar mass
237.32 g/mol

Names & identifiers

Preferred name
5-Cyclohex-1-enyl-3-aminothiophene-2-carboxylic acid methyl ester
IUPAC
methyl 3-amino-5-(cyclohexen-1-yl)thiophene-2-carboxylate

Names & synonyms

SCHEMBL2104914XYRRRTDDQUCNQM-UHFFFAOYSA-Nmethyl 3-amino-5-(cyclohex-1-en-1-yl)thiophene-2-carboxylate3-Amino-5-cyclohex-1-enyl-thiophene-2-carboxylic acid methyl ester5-cyclohex-1-enyl-3-amino-thiophene-2-carboxylic acid methyl ester5-cyclohex-1-enyl-3-aminothiophene-2-carboxylic acid methyl ester914781-00-3

Database identifiers

PubChem CID
57795401

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
80.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16

Related reactions

13 records

Compound notes

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