ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate

C14H21NO2S — CID 54867048

IUPACethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCc2cccs2)CC1
InChIInChI=1S/C14H21NO2S/c1-2-17-14(16)11-5-7-12(8-6-11)15-10-13-4-3-9-18-13/h3-4,9,11-12,15H,2,5-8,10H2,1H3
InChIKeyXQAGHXQGWJHSAZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.96
Rot. Bonds5

About ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate

ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate (PubChem CID 54867048) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
PubChem CID54867048
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nameethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCc2cccs2)CC1
InChIInChI=1S/C14H21NO2S/c1-2-17-14(16)11-5-7-12(8-6-11)15-10-13-4-3-9-18-13/h3-4,9,11-12,15H,2,5-8,10H2,1H3
InChIKeyXQAGHXQGWJHSAZ-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-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 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
ethyl 4-[(4-chlorothiophen-2-yl)methylamino]cyclohexane-1-carboxylate
CID 79419998
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate
CID 115149178
ethyl 4-[(2,4-dimethylphenyl)methylamino]cyclohexane-1-carboxylate
CID 60934439
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
ethyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]cyclohexane-1-carboxylate;hydroiodide
CID 110040152
ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
CID 61310739
ethyl 1-[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]piperidine-3-carboxylate
CID 110993757

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate (CID 54867048) is ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NCc2cccs2)CC1.
What is the InChIKey of ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate?
The InChIKey is XQAGHXQGWJHSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-17-14(16)11-5-7-12(8-6-11)15-10-13-4-3-9-18-13/h3-4,9,11-12,15H,2,5-8,10H2,1H3.
What are the key properties of ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate?
ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 54867048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).