methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate

C15H24N2O2S — CID 126623935

IUPACmethyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate
SMILESCCN(c1scc(C(=O)OC)c1C)C1CCC(N)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-17(12-7-5-11(16)6-8-12)14-10(2)13(9-20-14)15(18)19-3/h9,11-12H,4-8,16H2,1-3H3
InChIKeyUWXHZBLRZQBTSE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.94
Rot. Bonds4

About methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate

methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate (PubChem CID 126623935) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate
PubChem CID126623935
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Namemethyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate
SMILESCCN(c1scc(C(=O)OC)c1C)C1CCC(N)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-17(12-7-5-11(16)6-8-12)14-10(2)13(9-20-14)15(18)19-3/h9,11-12H,4-8,16H2,1-3H3
InChIKeyUWXHZBLRZQBTSE-UHFFFAOYSA-N
XLogP2.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[ethyl-(4-methylcyclohexyl)amino]-4-methylthiophen-3-yl]propan-1-one
CID 129273851
1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one
CID 129273860
5-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-4-methylthiophene-3-carboxylic acid
CID 126623920
4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112132
4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112426
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,4-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-4-methylthiophene-3-carboxamide
CID 157419779
2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
CID 142795822
2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795821
2-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795826
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[[4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 131953998
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[[4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 86763363
dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate (CID 126623935) is methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate is CCN(c1scc(C(=O)OC)c1C)C1CCC(N)CC1.
What is the InChIKey of methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate?
The InChIKey is UWXHZBLRZQBTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17(12-7-5-11(16)6-8-12)14-10(2)13(9-20-14)15(18)19-3/h9,11-12H,4-8,16H2,1-3H3.
What are the key properties of methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate?
methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 126623935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).