ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride

C11H16ClNO2S — CID 165143037

IUPACethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1csc2c1CCNC2C.Cl
InChIInChI=1S/C11H15NO2S.ClH/c1-3-14-11(13)9-6-15-10-7(2)12-5-4-8(9)10;/h6-7,12H,3-5H2,1-2H3;1H
InChIKeyDWLITMPULWARRI-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.55
Rot. Bonds2

About ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride

ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride (PubChem CID 165143037) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
PubChem CID165143037
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Nameethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1csc2c1CCNC2C.Cl
InChIInChI=1S/C11H15NO2S.ClH/c1-3-14-11(13)9-6-15-10-7(2)12-5-4-8(9)10;/h6-7,12H,3-5H2,1-2H3;1H
InChIKeyDWLITMPULWARRI-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 5,7-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748162
ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 170560702
6-O-tert-butyl 3-O-ethyl 7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 165143435
ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
CID 131436081
ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
CID 114748134
ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate
CID 114748147
ethyl 4-ethyl-5-methylthiophene-3-carboxylate
CID 114748154
ethyl 1-benzothiophene-3-carboxylate
CID 898679
ethyl 4-(dichloromethyl)-5-methylthiophene-3-carboxylate
CID 68941601
3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate
CID 134608459
ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 165469922
butyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 78915216

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride (CID 165143037) is ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride is CCOC(=O)c1csc2c1CCNC2C.Cl.
What is the InChIKey of ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride?
The InChIKey is DWLITMPULWARRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S.ClH/c1-3-14-11(13)9-6-15-10-7(2)12-5-4-8(9)10;/h6-7,12H,3-5H2,1-2H3;1H.
What are the key properties of ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride?
ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride has a molecular weight of 261.77 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 165143037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).