methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

C9H11NO2S — CID 53261134

IUPACmethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2sccc2C1
InChIInChI=1S/C9H11NO2S/c1-12-9(11)10-4-2-8-7(6-10)3-5-13-8/h3,5H,2,4,6H2,1H3
InChIKeyHHTMOHHTZRBGTG-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.87
Rot. Bonds

About methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 53261134) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID53261134
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2sccc2C1
InChIInChI=1S/C9H11NO2S/c1-12-9(11)10-4-2-8-7(6-10)3-5-13-8/h3,5H,2,4,6H2,1H3
InChIKeyHHTMOHHTZRBGTG-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 53261134) is methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is COC(=O)N1CCc2sccc2C1.
What is the InChIKey of methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is HHTMOHHTZRBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9(11)10-4-2-8-7(6-10)3-5-13-8/h3,5H,2,4,6H2,1H3.
What are the key properties of methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 53261134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).