1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone

C12H13NOS — CID 83917541

IUPAC1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone
SMILESCSc1ccc2c(C(C)=O)cn(C)c2c1
InChIInChI=1S/C12H13NOS/c1-8(14)11-7-13(2)12-6-9(15-3)4-5-10(11)12/h4-7H,1-3H3
InChIKeyAESOQCUVKWHBHW-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.10
Rot. Bonds2

About 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone

1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone (PubChem CID 83917541) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone
PubChem CID83917541
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone
SMILESCSc1ccc2c(C(C)=O)cn(C)c2c1
InChIInChI=1S/C12H13NOS/c1-8(14)11-7-13(2)12-6-9(15-3)4-5-10(11)12/h4-7H,1-3H3
InChIKeyAESOQCUVKWHBHW-UHFFFAOYSA-N
XLogP3.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone?
The IUPAC name of 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone (CID 83917541) is 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone?
The canonical SMILES for 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone is CSc1ccc2c(C(C)=O)cn(C)c2c1.
What is the InChIKey of 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone?
The InChIKey is AESOQCUVKWHBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8(14)11-7-13(2)12-6-9(15-3)4-5-10(11)12/h4-7H,1-3H3.
What are the key properties of 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone?
1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone has a molecular weight of 219.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone is sourced from PubChem (CID 83917541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).