cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone

C11H10OS2 — CID 115811428

IUPACcyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2sccc2s1)C1CCC1
InChIInChI=1S/C11H10OS2/c12-11(7-2-1-3-7)10-6-9-8(14-10)4-5-13-9/h4-7H,1-3H2
InChIKeyYVLHRAPJAHUJCY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.95
Rot. Bonds2

About cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone

cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone (PubChem CID 115811428) has the molecular formula C11H10OS2 and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone
PubChem CID115811428
Molecular FormulaC11H10OS2
Molecular Weight222.33 g/mol
Exact Mass222.02
IUPAC Namecyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2sccc2s1)C1CCC1
InChIInChI=1S/C11H10OS2/c12-11(7-2-1-3-7)10-6-9-8(14-10)4-5-13-9/h4-7H,1-3H2
InChIKeyYVLHRAPJAHUJCY-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone?
The IUPAC name of cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone (CID 115811428) is cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone.
What is the SMILES notation for cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone?
The canonical SMILES for cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone is O=C(c1cc2sccc2s1)C1CCC1.
What is the InChIKey of cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone?
The InChIKey is YVLHRAPJAHUJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS2/c12-11(7-2-1-3-7)10-6-9-8(14-10)4-5-13-9/h4-7H,1-3H2.
What are the key properties of cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone?
cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone is sourced from PubChem (CID 115811428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).