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

C14H16OS2 — CID 115794767

IUPACcycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2sccc2s1)C1CCCCCC1
InChIInChI=1S/C14H16OS2/c15-14(10-5-3-1-2-4-6-10)13-9-12-11(17-13)7-8-16-12/h7-10H,1-6H2
InChIKeyIXWITNIMTZVQPT-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.12
Rot. Bonds2

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

cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone (PubChem CID 115794767) has the molecular formula C14H16OS2 and a molecular weight of 264.41 g/mol. Its IUPAC name is cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone.

Molecular Properties

Compound Namecycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone
PubChem CID115794767
Molecular FormulaC14H16OS2
Molecular Weight264.41 g/mol
Exact Mass264.06
IUPAC Namecycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2sccc2s1)C1CCCCCC1
InChIInChI=1S/C14H16OS2/c15-14(10-5-3-1-2-4-6-10)13-9-12-11(17-13)7-8-16-12/h7-10H,1-6H2
InChIKeyIXWITNIMTZVQPT-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone?
The IUPAC name of cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone (CID 115794767) is cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone.
What is the SMILES notation for cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone?
The canonical SMILES for cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone is O=C(c1cc2sccc2s1)C1CCCCCC1.
What is the InChIKey of cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone?
The InChIKey is IXWITNIMTZVQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS2/c15-14(10-5-3-1-2-4-6-10)13-9-12-11(17-13)7-8-16-12/h7-10H,1-6H2.
What are the key properties of cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone?
cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone has a molecular weight of 264.41 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone is sourced from PubChem (CID 115794767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).