ethyl 5-(cyclohexylamino)thiophene-2-carboxylate

C13H19NO2S — CID 134304249

IUPACethyl 5-(cyclohexylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCCCC2)s1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)11-8-9-12(17-11)14-10-6-4-3-5-7-10/h8-10,14H,2-7H2,1H3
InChIKeyIPPOZTKNONPYRK-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.67
Rot. Bonds4

About ethyl 5-(cyclohexylamino)thiophene-2-carboxylate

ethyl 5-(cyclohexylamino)thiophene-2-carboxylate (PubChem CID 134304249) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is ethyl 5-(cyclohexylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclohexylamino)thiophene-2-carboxylate
PubChem CID134304249
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Nameethyl 5-(cyclohexylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCCCC2)s1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)11-8-9-12(17-11)14-10-6-4-3-5-7-10/h8-10,14H,2-7H2,1H3
InChIKeyIPPOZTKNONPYRK-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(cyclohexylamino)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 5-benzamido-3-methylthiophene-2-carboxylate
CID 2078477
Ethyl 3-methyl-5-pivalamidothiophene-2-carboxylate
CID 4091038
5-Hexadecylamino-2-thiophenecarboxylic acid
CID 20503559
Ethyl 5-hexadecylamino-2-thiophenecarboxylate
CID 20503573
Ethyl 5-acetamido-3-methylthiophene-2-carboxylate
CID 1215212
Ethyl 5-(piperazin-1-yl)thiophene-2-carboxylate
CID 119025557
Methyl 5-(piperazin-1-yl)thiophene-2-carboxylate hydrochloride
CID 122236466
Methyl 5-[(azepan-2-ylidene)amino]thiophene-2-carboxylate
CID 2330516
Ethyl 5-(2-oxo-1-pyrrolidinyl)-2-thiophenecarboxylate
CID 121222411
(2-Oxocyclohexyl) 5-acetamidothiophene-2-carboxylate
CID 42928992
Methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate
CID 118135551
Methyl 5-[(2-fluoroanilino)methyl]thiophene-3-carboxylate
CID 118135553

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclohexylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(cyclohexylamino)thiophene-2-carboxylate (CID 134304249) is ethyl 5-(cyclohexylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclohexylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclohexylamino)thiophene-2-carboxylate is CCOC(=O)c1ccc(NC2CCCCC2)s1.
What is the InChIKey of ethyl 5-(cyclohexylamino)thiophene-2-carboxylate?
The InChIKey is IPPOZTKNONPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-16-13(15)11-8-9-12(17-11)14-10-6-4-3-5-7-10/h8-10,14H,2-7H2,1H3.
What are the key properties of ethyl 5-(cyclohexylamino)thiophene-2-carboxylate?
ethyl 5-(cyclohexylamino)thiophene-2-carboxylate has a molecular weight of 253.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclohexylamino)thiophene-2-carboxylate is sourced from PubChem (CID 134304249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).