methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate

C20H29NO2S — CID 130466128

IUPACmethyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1C1=C(C2CCC(C)CC2)CN(C)CC1
InChIInChI=1S/C20H29NO2S/c1-13-5-7-15(8-6-13)18-12-21(3)10-9-16(18)17-11-14(2)24-19(17)20(22)23-4/h11,13,15H,5-10,12H2,1-4H3
InChIKeyHAUNYOCYWLTJLZ-UHFFFAOYSA-N
MW347.52 g/mol
LogP4.76
Rot. Bonds3

About methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate

methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate (PubChem CID 130466128) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate
PubChem CID130466128
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC Namemethyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1C1=C(C2CCC(C)CC2)CN(C)CC1
InChIInChI=1S/C20H29NO2S/c1-13-5-7-15(8-6-13)18-12-21(3)10-9-16(18)17-11-14(2)24-19(17)20(22)23-4/h11,13,15H,5-10,12H2,1-4H3
InChIKeyHAUNYOCYWLTJLZ-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 5-[2-(1-methylcyclopropyl)ethynyl]-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate
CID 70351486
5-(4-aminophenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylic acid
CID 57407199
5-(3-hydroxy-3-methylbut-1-ynyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylic acid
CID 67976103
methyl 5-(4-acetamidophenyl)-3-[1-ethyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate
CID 67991053
5-(4-amino-3-cyanophenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylic acid
CID 130466129
methyl 3-(5-cyclohexyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(1-phenylcyclopropyl)ethynyl]thiophene-2-carboxylate
CID 123603613
3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-[4-(1,3-thiazol-4-yl)phenyl]thiophene-2-carboxylic acid
CID 70355941
3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-[2-(1-phenylcyclopropyl)ethynyl]thiophene-2-carboxylic acid
CID 57406815
1-[3-[5-(4-ethylcyclohexyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-5-iodothiophen-2-yl]ethanone
CID 144601537
methyl 3-[1-ethyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]thiophene-2-carboxylate
CID 67991110
3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylic acid
CID 57406816
3-[1-ethyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-iodothiophene-2-carboxylic acid
CID 67991069

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate (CID 130466128) is methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate is COC(=O)c1sc(C)cc1C1=C(C2CCC(C)CC2)CN(C)CC1.
What is the InChIKey of methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate?
The InChIKey is HAUNYOCYWLTJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c1-13-5-7-15(8-6-13)18-12-21(3)10-9-16(18)17-11-14(2)24-19(17)20(22)23-4/h11,13,15H,5-10,12H2,1-4H3.
What are the key properties of methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate?
methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate has a molecular weight of 347.52 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate is sourced from PubChem (CID 130466128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).