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

C10H13NO2S — CID 90396396

IUPACmethyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)sc2c1CCNC2
InChIInChI=1S/C10H13NO2S/c1-6-9(10(12)13-2)7-3-4-11-5-8(7)14-6/h11H,3-5H2,1-2H3
InChIKeySGDPPJGIFUZXTO-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.49
Rot. Bonds1

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

methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (PubChem CID 90396396) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
PubChem CID90396396
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)sc2c1CCNC2
InChIInChI=1S/C10H13NO2S/c1-6-9(10(12)13-2)7-3-4-11-5-8(7)14-6/h11H,3-5H2,1-2H3
InChIKeySGDPPJGIFUZXTO-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,5-dioxopyrrolidin-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 61354175
methyl 2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 59887387
methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 61353973
methyl 2-(1H-pyrazole-4-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 43599773
methyl 2-(2H-triazole-4-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 63283108
ethyl 3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
CID 67523689
N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
CID 2814699
1-[2-(3-methylbuta-1,3-dien-2-ylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]ethanone
CID 142107248
N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide
CID 156883419
methyl 5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepine-2-carboxylate
CID 130141058
2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 56742826
tert-butyl 2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 154251118

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CID 90396396) is methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(C)sc2c1CCNC2.
What is the InChIKey of methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is SGDPPJGIFUZXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6-9(10(12)13-2)7-3-4-11-5-8(7)14-6/h11H,3-5H2,1-2H3.
What are the key properties of methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 90396396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).