4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine

C10H13NS — CID 58332186

IUPAC4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
SMILESCC(C)C1=CC=NC2SC=CC12
InChIInChI=1S/C10H13NS/c1-7(2)8-3-5-11-10-9(8)4-6-12-10/h3-7,9-10H,1-2H3
InChIKeyASOOFOGYMNBESY-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.86
Rot. Bonds1

About 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine

4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine (PubChem CID 58332186) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
PubChem CID58332186
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
SMILESCC(C)C1=CC=NC2SC=CC12
InChIInChI=1S/C10H13NS/c1-7(2)8-3-5-11-10-9(8)4-6-12-10/h3-7,9-10H,1-2H3
InChIKeyASOOFOGYMNBESY-UHFFFAOYSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine?
The IUPAC name of 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine (CID 58332186) is 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine is CC(C)C1=CC=NC2SC=CC12.
What is the InChIKey of 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine?
The InChIKey is ASOOFOGYMNBESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7(2)8-3-5-11-10-9(8)4-6-12-10/h3-7,9-10H,1-2H3.
What are the key properties of 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine?
4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine has a molecular weight of 179.29 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 58332186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).