2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine

C15H23NS — CID 58849853

IUPAC2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine
SMILESCC(C)(C)C1Sc2ncccc2C1C(C)(C)C
InChIInChI=1S/C15H23NS/c1-14(2,3)11-10-8-7-9-16-13(10)17-12(11)15(4,5)6/h7-9,11-12H,1-6H3
InChIKeyKRZBBSGSKZTNIK-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.73
Rot. Bonds

About 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine

2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine (PubChem CID 58849853) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine
PubChem CID58849853
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine
SMILESCC(C)(C)C1Sc2ncccc2C1C(C)(C)C
InChIInChI=1S/C15H23NS/c1-14(2,3)11-10-8-7-9-16-13(10)17-12(11)15(4,5)6/h7-9,11-12H,1-6H3
InChIKeyKRZBBSGSKZTNIK-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine?
The IUPAC name of 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine (CID 58849853) is 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine is CC(C)(C)C1Sc2ncccc2C1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine?
The InChIKey is KRZBBSGSKZTNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-14(2,3)11-10-8-7-9-16-13(10)17-12(11)15(4,5)6/h7-9,11-12H,1-6H3.
What are the key properties of 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine?
2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine has a molecular weight of 249.42 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-2,3-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 58849853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).