ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate

C14H22N2O2S — CID 103426599

IUPACethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC2CCC(C)CC2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-3-18-14(17)13-11(15)8-12(19-13)16-10-6-4-9(2)5-7-10/h8-10,16H,3-7,15H2,1-2H3
InChIKeyJCVFVJVYGRSZHR-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.50
Rot. Bonds4

About ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate

ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate (PubChem CID 103426599) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate
PubChem CID103426599
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC2CCC(C)CC2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-3-18-14(17)13-11(15)8-12(19-13)16-10-6-4-9(2)5-7-10/h8-10,16H,3-7,15H2,1-2H3
InChIKeyJCVFVJVYGRSZHR-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone
CID 103426543
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
ethyl 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzoate
CID 107193471
3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426608
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427442
ethyl 3-amino-5-(cyclopropylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103423708
ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507819
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425003
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate (CID 103426599) is ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC2CCC(C)CC2)cc1N.
What is the InChIKey of ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate?
The InChIKey is JCVFVJVYGRSZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-18-14(17)13-11(15)8-12(19-13)16-10-6-4-9(2)5-7-10/h8-10,16H,3-7,15H2,1-2H3.
What are the key properties of ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate?
ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 103426599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).