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

C15H15NO2S — CID 22117413

IUPACbenzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C15H15NO2S/c17-15(18-11-12-4-2-1-3-5-12)16-8-6-14-13(10-16)7-9-19-14/h1-5,7,9H,6,8,10-11H2
InChIKeyNQCSARHOARIAGZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.44
Rot. Bonds2

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

benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 22117413) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID22117413
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Namebenzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C15H15NO2S/c17-15(18-11-12-4-2-1-3-5-12)16-8-6-14-13(10-16)7-9-19-14/h1-5,7,9H,6,8,10-11H2
InChIKeyNQCSARHOARIAGZ-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 22117413) is benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is O=C(OCc1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is NQCSARHOARIAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-15(18-11-12-4-2-1-3-5-12)16-8-6-14-13(10-16)7-9-19-14/h1-5,7,9H,6,8,10-11H2.
What are the key properties of benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 273.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 22117413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).