ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate

C10H11NO2S2 — CID 50988248

IUPACethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1sc2ccsc2c1CN
InChIInChI=1S/C10H11NO2S2/c1-2-13-10(12)9-6(5-11)8-7(15-9)3-4-14-8/h3-4H,2,5,11H2,1H3
InChIKeyVVJSRWIIPYTVHH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.60
Rot. Bonds3

About ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate

ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate (PubChem CID 50988248) has the molecular formula C10H11NO2S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate
PubChem CID50988248
Molecular FormulaC10H11NO2S2
Molecular Weight241.34 g/mol
Exact Mass241.02
IUPAC Nameethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1sc2ccsc2c1CN
InChIInChI=1S/C10H11NO2S2/c1-2-13-10(12)9-6(5-11)8-7(15-9)3-4-14-8/h3-4H,2,5,11H2,1H3
InChIKeyVVJSRWIIPYTVHH-UHFFFAOYSA-N
XLogP2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate?
The IUPAC name of ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate (CID 50988248) is ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate.
What is the SMILES notation for ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate?
The canonical SMILES for ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate is CCOC(=O)c1sc2ccsc2c1CN.
What is the InChIKey of ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate?
The InChIKey is VVJSRWIIPYTVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S2/c1-2-13-10(12)9-6(5-11)8-7(15-9)3-4-14-8/h3-4H,2,5,11H2,1H3.
What are the key properties of ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate?
ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate has a molecular weight of 241.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate is sourced from PubChem (CID 50988248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).