ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

C11H15NO2S — CID 170560702

IUPACethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1csc2c1C[C@@H](C)NC2
InChIInChI=1S/C11H15NO2S/c1-3-14-11(13)9-6-15-10-5-12-7(2)4-8(9)10/h6-7,12H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyAKEJAIFMTDTMGO-SSDOTTSWSA-N
MW225.31 g/mol
LogP1.96
Rot. Bonds2

About ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (PubChem CID 170560702) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
PubChem CID170560702
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nameethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1csc2c1C[C@@H](C)NC2
InChIInChI=1S/C11H15NO2S/c1-3-14-11(13)9-6-15-10-5-12-7(2)4-8(9)10/h6-7,12H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyAKEJAIFMTDTMGO-SSDOTTSWSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5,7-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748162
ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 165143037
ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
CID 114748134
ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
CID 118902551
ethyl (6R)-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 163409902
6-O-tert-butyl 3-O-ethyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 165143435
ethyl 6-(imidazo[1,2-a]pyridine-3-carbonyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 165143269
ethyl 4-ethyl-5-methylthiophene-3-carboxylate
CID 114748154
ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate
CID 114748147
ethyl thieno[3,2-b]pyridine-3-carboxylate
CID 141156722
methyl 6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748207
butyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 78915216

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CID 170560702) is ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1csc2c1C[C@@H](C)NC2.
What is the InChIKey of ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is AKEJAIFMTDTMGO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-14-11(13)9-6-15-10-5-12-7(2)4-8(9)10/h6-7,12H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 170560702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).