1-ethylsulfonyl-2-methyl-2,3-dihydroindole

C11H15NO2S — CID 4081677

IUPAC1-ethylsulfonyl-2-methyl-2,3-dihydroindole
SMILESCCS(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C11H15NO2S/c1-3-15(13,14)12-9(2)8-10-6-4-5-7-11(10)12/h4-7,9H,3,8H2,1-2H3
InChIKeyOMIZBTZYFBQWLZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.79
Rot. Bonds2

About 1-ethylsulfonyl-2-methyl-2,3-dihydroindole

1-ethylsulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 4081677) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethylsulfonyl-2-methyl-2,3-dihydroindole
PubChem CID4081677
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-ethylsulfonyl-2-methyl-2,3-dihydroindole
SMILESCCS(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C11H15NO2S/c1-3-15(13,14)12-9(2)8-10-6-4-5-7-11(10)12/h4-7,9H,3,8H2,1-2H3
InChIKeyOMIZBTZYFBQWLZ-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-ethylsulfonyl-2-methyl-2,3-dihydroindole (CID 4081677) is 1-ethylsulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-ethylsulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-ethylsulfonyl-2-methyl-2,3-dihydroindole is CCS(=O)(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-ethylsulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is OMIZBTZYFBQWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-15(13,14)12-9(2)8-10-6-4-5-7-11(10)12/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-2-methyl-2,3-dihydroindole?
1-ethylsulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 225.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 4081677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).