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

C10H13NO2S — CID 90176022

IUPAC1-methyl-5-methylsulfonyl-2,3-dihydroindole
SMILESCN1CCc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C10H13NO2S/c1-11-6-5-8-7-9(14(2,12)13)3-4-10(8)11/h3-4,7H,5-6H2,1-2H3
InChIKeyKFKGCEQCOHOAQD-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.08
Rot. Bonds1

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

1-methyl-5-methylsulfonyl-2,3-dihydroindole (PubChem CID 90176022) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-methyl-5-methylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-5-methylsulfonyl-2,3-dihydroindole
PubChem CID90176022
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-methyl-5-methylsulfonyl-2,3-dihydroindole
SMILESCN1CCc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C10H13NO2S/c1-11-6-5-8-7-9(14(2,12)13)3-4-10(8)11/h3-4,7H,5-6H2,1-2H3
InChIKeyKFKGCEQCOHOAQD-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-methylsulfonyl-2,3-dihydroindole with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417
7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-amine
CID 123957043
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 55895275
N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736718
N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110729382
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729389
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-4-methylbenzenesulfonamide
CID 90582352
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40828862

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-methyl-5-methylsulfonyl-2,3-dihydroindole (CID 90176022) is 1-methyl-5-methylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-5-methylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-methyl-5-methylsulfonyl-2,3-dihydroindole is CN1CCc2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of 1-methyl-5-methylsulfonyl-2,3-dihydroindole?
The InChIKey is KFKGCEQCOHOAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-11-6-5-8-7-9(14(2,12)13)3-4-10(8)11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-methyl-5-methylsulfonyl-2,3-dihydroindole?
1-methyl-5-methylsulfonyl-2,3-dihydroindole has a molecular weight of 211.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 90176022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).