3-Amino-5-(4,4-dimethyl-cyclohex-1-enyl)-thiophene-2-carboxylic acid methyl ester

HCID 57795435
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCC(C)(C)CC2)cc1N
InChIKey
BQQHXIZCAPCAQE-UHFFFAOYSA-N
Molecular formula
C14H19NO2S
Average molar mass
265.37 g/mol

Names & identifiers

Preferred name
3-Amino-5-(4,4-dimethyl-cyclohex-1-enyl)-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 3-amino-5-(4,4-dimethylcyclohexen-1-yl)thiophene-2-carboxylate

Names & synonyms

SCHEMBL2106424BQQHXIZCAPCAQE-UHFFFAOYSA-N3-amino-5-(4,4-dimethyl-cyclohex-1-enyl)-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795435

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
80.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

4 records
New reaction record

Linked notes

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