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

C12H17NO2S — CID 18377286

IUPACtert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-10-9(8-13)5-7-16-10/h5,7H,4,6,8H2,1-3H3
InChIKeyDGYXRUYCQAYVDM-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.04
Rot. Bonds

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

tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 18377286) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID18377286
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Nametert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-10-9(8-13)5-7-16-10/h5,7H,4,6,8H2,1-3H3
InChIKeyDGYXRUYCQAYVDM-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxamide
CID 16784441
tert-Butyl 2-formyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 18670293
tert-butyl 2-bromo-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 19365864
tert-butyl 3-bromo-4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxylate
CID 44630658
tert-butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxylate
CID 75487172
4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl chloride
CID 79887429
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
CID 40118713
1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392527
5-Acetyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 21472069
5-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 45117639
tert-butyl 4-(aminomethyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxylate
CID 146049782
tert-butyl 2-ethynyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 146155871

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 18377286) is tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2sccc2C1.
What is the InChIKey of tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is DGYXRUYCQAYVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-10-9(8-13)5-7-16-10/h5,7H,4,6,8H2,1-3H3.
What are the key properties of tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 239.34 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 18377286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).