1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone

C15H15NO2S — CID 90196165

IUPAC1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3c2OC(CN)C3)s1
InChIInChI=1S/C15H15NO2S/c1-9(17)13-5-6-14(19-13)12-4-2-3-10-7-11(8-16)18-15(10)12/h2-6,11H,7-8,16H2,1H3
InChIKeyJKTYYGBMJXYKRM-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.88
Rot. Bonds3

About 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone

1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone (PubChem CID 90196165) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone
PubChem CID90196165
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3c2OC(CN)C3)s1
InChIInChI=1S/C15H15NO2S/c1-9(17)13-5-6-14(19-13)12-4-2-3-10-7-11(8-16)18-15(10)12/h2-6,11H,7-8,16H2,1H3
InChIKeyJKTYYGBMJXYKRM-UHFFFAOYSA-N
XLogP2.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone (CID 90196165) is 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cccc3c2OC(CN)C3)s1.
What is the InChIKey of 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone?
The InChIKey is JKTYYGBMJXYKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-9(17)13-5-6-14(19-13)12-4-2-3-10-7-11(8-16)18-15(10)12/h2-6,11H,7-8,16H2,1H3.
What are the key properties of 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone?
1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone has a molecular weight of 273.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 90196165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).