methyl 2-(methylamino)-1-benzothiophene-3-carboxylate

C11H11NO2S — CID 20676197

IUPACmethyl 2-(methylamino)-1-benzothiophene-3-carboxylate
SMILESCNc1sc2ccccc2c1C(=O)OC
InChIInChI=1S/C11H11NO2S/c1-12-10-9(11(13)14-2)7-5-3-4-6-8(7)15-10/h3-6,12H,1-2H3
InChIKeyTUIDOYHJOJZVLP-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.73
Rot. Bonds2

About methyl 2-(methylamino)-1-benzothiophene-3-carboxylate

methyl 2-(methylamino)-1-benzothiophene-3-carboxylate (PubChem CID 20676197) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl 2-(methylamino)-1-benzothiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-1-benzothiophene-3-carboxylate
PubChem CID20676197
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Namemethyl 2-(methylamino)-1-benzothiophene-3-carboxylate
SMILESCNc1sc2ccccc2c1C(=O)OC
InChIInChI=1S/C11H11NO2S/c1-12-10-9(11(13)14-2)7-5-3-4-6-8(7)15-10/h3-6,12H,1-2H3
InChIKeyTUIDOYHJOJZVLP-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-1-benzothiophene-3-carboxylate?
The IUPAC name of methyl 2-(methylamino)-1-benzothiophene-3-carboxylate (CID 20676197) is methyl 2-(methylamino)-1-benzothiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(methylamino)-1-benzothiophene-3-carboxylate?
The canonical SMILES for methyl 2-(methylamino)-1-benzothiophene-3-carboxylate is CNc1sc2ccccc2c1C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-1-benzothiophene-3-carboxylate?
The InChIKey is TUIDOYHJOJZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-12-10-9(11(13)14-2)7-5-3-4-6-8(7)15-10/h3-6,12H,1-2H3.
What are the key properties of methyl 2-(methylamino)-1-benzothiophene-3-carboxylate?
methyl 2-(methylamino)-1-benzothiophene-3-carboxylate has a molecular weight of 221.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 20676197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).