methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate

C24H32N2O4S2 — CID 167606135

IUPACmethyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C2=CCN(C)CC2)s1.COC(=O)c1ccc(C2CCN(C)CC2)s1
InChIInChI=1S/C12H17NO2S.C12H15NO2S/c2*1-13-7-5-9(6-8-13)10-3-4-11(16-10)12(14)15-2/h3-4,9H,5-8H2,1-2H3;3-5H,6-8H2,1-2H3
InChIKeyKKFBQKDRRJXFSD-UHFFFAOYSA-N
MW476.66 g/mol
LogP4.60
Rot. Bonds4

About methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate

methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate (PubChem CID 167606135) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate
PubChem CID167606135
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC Namemethyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C2=CCN(C)CC2)s1.COC(=O)c1ccc(C2CCN(C)CC2)s1
InChIInChI=1S/C12H17NO2S.C12H15NO2S/c2*1-13-7-5-9(6-8-13)10-3-4-11(16-10)12(14)15-2/h3-4,9H,5-8H2,1-2H3;3-5H,6-8H2,1-2H3
InChIKeyKKFBQKDRRJXFSD-UHFFFAOYSA-N
XLogP4.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 2-fluoro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzoate;methyl 2-fluoro-5-(1-methylpiperidin-4-yl)benzoate
CID 158206574
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate
CID 38298822
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
6-amino-2-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzamide;6-amino-2-fluoro-3-(1-methylpiperidin-4-yl)benzamide;methanol
CID 167629923
tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
CID 86702006
tert-butyl 4-[5-[(2-methylpiperidin-4-ylidene)carbamoyl]thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156621209
methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate
CID 134057736
methyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiophene-2-carboxylate
CID 35184726
hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
CID 159424463
methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate
CID 35186967
methyl 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]thiophene-2-carboxylate
CID 177269219

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate (CID 167606135) is methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate is COC(=O)c1ccc(C2=CCN(C)CC2)s1.COC(=O)c1ccc(C2CCN(C)CC2)s1.
What is the InChIKey of methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate?
The InChIKey is KKFBQKDRRJXFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S.C12H15NO2S/c2*1-13-7-5-9(6-8-13)10-3-4-11(16-10)12(14)15-2/h3-4,9H,5-8H2,1-2H3;3-5H,6-8H2,1-2H3.
What are the key properties of methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate?
methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate has a molecular weight of 476.66 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylate;methyl 5-(1-methylpiperidin-4-yl)thiophene-2-carboxylate is sourced from PubChem (CID 167606135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).