2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine

C11H15NO2S — CID 55211905

IUPAC2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
SMILESCNCCC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C11H15NO2S/c1-12-7-6-9-8-15(13,14)11-5-3-2-4-10(9)11/h2-5,9,12H,6-8H2,1H3
InChIKeyYZORIHQTQIKSAK-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.17
Rot. Bonds3

About 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine

2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine (PubChem CID 55211905) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
PubChem CID55211905
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
SMILESCNCCC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C11H15NO2S/c1-12-7-6-9-8-15(13,14)11-5-3-2-4-10(9)11/h2-5,9,12H,6-8H2,1H3
InChIKeyYZORIHQTQIKSAK-UHFFFAOYSA-N
XLogP1.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine (CID 55211905) is 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine is CNCCC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine?
The InChIKey is YZORIHQTQIKSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-7-6-9-8-15(13,14)11-5-3-2-4-10(9)11/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine?
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine has a molecular weight of 225.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 55211905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).