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

C10H12ClNO2S2 — CID 50988247

IUPACethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc2ccsc2c1CN.Cl
InChIInChI=1S/C10H11NO2S2.ClH/c1-2-13-10(12)9-6(5-11)8-7(15-9)3-4-14-8;/h3-4H,2,5,11H2,1H3;1H
InChIKeyRYOMVZKDHFHCFW-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.02
Rot. Bonds3

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

ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride (PubChem CID 50988247) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride
PubChem CID50988247
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Nameethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc2ccsc2c1CN.Cl
InChIInChI=1S/C10H11NO2S2.ClH/c1-2-13-10(12)9-6(5-11)8-7(15-9)3-4-14-8;/h3-4H,2,5,11H2,1H3;1H
InChIKeyRYOMVZKDHFHCFW-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.02
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;hydrochloride?
The IUPAC name of ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride (CID 50988247) is ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride is CCOC(=O)c1sc2ccsc2c1CN.Cl.
What is the InChIKey of ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride?
The InChIKey is RYOMVZKDHFHCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S2.ClH/c1-2-13-10(12)9-6(5-11)8-7(15-9)3-4-14-8;/h3-4H,2,5,11H2,1H3;1H.
What are the key properties of ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride?
ethyl 6-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.02, 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;hydrochloride is sourced from PubChem (CID 50988247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).