1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine

C11H15NO2S — CID 117203234

IUPAC1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)CC(C)S2(=O)=O
InChIInChI=1S/C11H15NO2S/c1-7-5-10-6-9(8(2)12)3-4-11(10)15(7,13)14/h3-4,6-8H,5,12H2,1-2H3
InChIKeyXTMSBNSEWVLVJF-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.42
Rot. Bonds1

About 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine

1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine (PubChem CID 117203234) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine
PubChem CID117203234
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)CC(C)S2(=O)=O
InChIInChI=1S/C11H15NO2S/c1-7-5-10-6-9(8(2)12)3-4-11(10)15(7,13)14/h3-4,6-8H,5,12H2,1-2H3
InChIKeyXTMSBNSEWVLVJF-UHFFFAOYSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine?
The IUPAC name of 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine (CID 117203234) is 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine.
What is the SMILES notation for 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine?
The canonical SMILES for 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine is CC(N)c1ccc2c(c1)CC(C)S2(=O)=O.
What is the InChIKey of 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine?
The InChIKey is XTMSBNSEWVLVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-5-10-6-9(8(2)12)3-4-11(10)15(7,13)14/h3-4,6-8H,5,12H2,1-2H3.
What are the key properties of 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine?
1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine has a molecular weight of 225.31 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine is sourced from PubChem (CID 117203234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).