pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone

C11H11NOS2 — CID 11085814

IUPACpyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2sccc2s1)N1CCCC1
InChIInChI=1S/C11H11NOS2/c13-11(12-4-1-2-5-12)10-7-9-8(15-10)3-6-14-9/h3,6-7H,1-2,4-5H2
InChIKeyJEMRJZFMPOMSBI-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.20
Rot. Bonds1

About pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone

pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone (PubChem CID 11085814) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone
PubChem CID11085814
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Namepyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2sccc2s1)N1CCCC1
InChIInChI=1S/C11H11NOS2/c13-11(12-4-1-2-5-12)10-7-9-8(15-10)3-6-14-9/h3,6-7H,1-2,4-5H2
InChIKeyJEMRJZFMPOMSBI-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone (CID 11085814) is pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone is O=C(c1cc2sccc2s1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone?
The InChIKey is JEMRJZFMPOMSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c13-11(12-4-1-2-5-12)10-7-9-8(15-10)3-6-14-9/h3,6-7H,1-2,4-5H2.
What are the key properties of pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone?
pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone has a molecular weight of 237.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone is sourced from PubChem (CID 11085814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).