2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one

C13H13NOS — CID 81415202

IUPAC2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one
SMILESCC1(C)C(=O)CC1c1cnc2ccsc2c1
InChIInChI=1S/C13H13NOS/c1-13(2)9(6-12(13)15)8-5-11-10(14-7-8)3-4-16-11/h3-5,7,9H,6H2,1-2H3
InChIKeyAFOYAVROIMVJFO-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.38
Rot. Bonds1

About 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one

2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one (PubChem CID 81415202) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one
PubChem CID81415202
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one
SMILESCC1(C)C(=O)CC1c1cnc2ccsc2c1
InChIInChI=1S/C13H13NOS/c1-13(2)9(6-12(13)15)8-5-11-10(14-7-8)3-4-16-11/h3-5,7,9H,6H2,1-2H3
InChIKeyAFOYAVROIMVJFO-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one?
The IUPAC name of 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one (CID 81415202) is 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one?
The canonical SMILES for 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one is CC1(C)C(=O)CC1c1cnc2ccsc2c1.
What is the InChIKey of 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one?
The InChIKey is AFOYAVROIMVJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-13(2)9(6-12(13)15)8-5-11-10(14-7-8)3-4-16-11/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one?
2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one has a molecular weight of 231.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-thieno[3,2-b]pyridin-6-ylcyclobutan-1-one is sourced from PubChem (CID 81415202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).