3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole

C11H15NO2S — CID 46941780

IUPAC3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C11H15NO2S/c1-11(2)7-12-10-5-4-8(6-9(10)11)15(3,13)14/h4-6,12H,7H2,1-3H3
InChIKeyHSJAYSJUFNOUNK-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.79
Rot. Bonds1

About 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole

3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole (PubChem CID 46941780) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole.

Molecular Properties

Compound Name3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole
PubChem CID46941780
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C11H15NO2S/c1-11(2)7-12-10-5-4-8(6-9(10)11)15(3,13)14/h4-6,12H,7H2,1-3H3
InChIKeyHSJAYSJUFNOUNK-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole?
The IUPAC name of 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole (CID 46941780) is 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole.
What is the SMILES notation for 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole?
The canonical SMILES for 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole is CC1(C)CNc2ccc(S(C)(=O)=O)cc21.
What is the InChIKey of 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole?
The InChIKey is HSJAYSJUFNOUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2)7-12-10-5-4-8(6-9(10)11)15(3,13)14/h4-6,12H,7H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole?
3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole has a molecular weight of 225.31 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole is sourced from PubChem (CID 46941780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).