5-methylsulfonyl-2,3-dihydro-1H-indole

C9H11NO2S — CID 2736136

IUPAC5-methylsulfonyl-2,3-dihydro-1H-indole
SMILESCS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C9H11NO2S/c1-13(11,12)8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKeyOFYOHQMIBTVTKY-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.06
Rot. Bonds1

About 5-methylsulfonyl-2,3-dihydro-1H-indole

5-methylsulfonyl-2,3-dihydro-1H-indole (PubChem CID 2736136) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-methylsulfonyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methylsulfonyl-2,3-dihydro-1H-indole
PubChem CID2736136
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name5-methylsulfonyl-2,3-dihydro-1H-indole
SMILESCS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C9H11NO2S/c1-13(11,12)8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKeyOFYOHQMIBTVTKY-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methylsulfonyl-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-methylsulfonyl-2,3-dihydro-1H-indole (CID 2736136) is 5-methylsulfonyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methylsulfonyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methylsulfonyl-2,3-dihydro-1H-indole is CS(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 5-methylsulfonyl-2,3-dihydro-1H-indole?
The InChIKey is OFYOHQMIBTVTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-13(11,12)8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 5-methylsulfonyl-2,3-dihydro-1H-indole?
5-methylsulfonyl-2,3-dihydro-1H-indole has a molecular weight of 197.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 2736136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).