COC(=O)C1=C(C=C(S1)C2=CCCCC2)N
CAS: 914781-00-3
Name: methyl 3-amino-5-(cyclohexen-1-yl)thiophene-2-carboxylate
SMILES: COC(=O)C1=C(C=C(S1)C2=CCCCC2)N

Molecular Processing

Molecular formula
C12H15NO2S
Molecular weight
237.32
Exact mass
237.0823
XLogP
3.07
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.52

Supplementary Information

InChIKey: XYRRRTDDQUCNQM-UHFFFAOYSA-N
Synonyme
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
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