2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one

C11H11NOS2 — CID 82388922

IUPAC2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one
SMILESO=C1CCNC(c2cc3ccsc3s2)C1
InChIInChI=1S/C11H11NOS2/c13-8-1-3-12-9(6-8)10-5-7-2-4-14-11(7)15-10/h2,4-5,9,12H,1,3,6H2
InChIKeyHIMARMQEFWKWSR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.96
Rot. Bonds1

About 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one

2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one (PubChem CID 82388922) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one.

Molecular Properties

Compound Name2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one
PubChem CID82388922
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one
SMILESO=C1CCNC(c2cc3ccsc3s2)C1
InChIInChI=1S/C11H11NOS2/c13-8-1-3-12-9(6-8)10-5-7-2-4-14-11(7)15-10/h2,4-5,9,12H,1,3,6H2
InChIKeyHIMARMQEFWKWSR-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one?
The IUPAC name of 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one (CID 82388922) is 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one.
What is the SMILES notation for 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one?
The canonical SMILES for 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one is O=C1CCNC(c2cc3ccsc3s2)C1.
What is the InChIKey of 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one?
The InChIKey is HIMARMQEFWKWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c13-8-1-3-12-9(6-8)10-5-7-2-4-14-11(7)15-10/h2,4-5,9,12H,1,3,6H2.
What are the key properties of 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one?
2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one has a molecular weight of 237.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-b]thiophen-5-ylpiperidin-4-one is sourced from PubChem (CID 82388922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).