4-methyl-2-(methylsulfonylmethyl)-1H-indole

C11H13NO2S — CID 117184823

IUPAC4-methyl-2-(methylsulfonylmethyl)-1H-indole
SMILESCc1cccc2[nH]c(CS(C)(=O)=O)cc12
InChIInChI=1S/C11H13NO2S/c1-8-4-3-5-11-10(8)6-9(12-11)7-15(2,13)14/h3-6,12H,7H2,1-2H3
InChIKeyAAUIZRSQVDEYCA-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.02
Rot. Bonds2

About 4-methyl-2-(methylsulfonylmethyl)-1H-indole

4-methyl-2-(methylsulfonylmethyl)-1H-indole (PubChem CID 117184823) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-methyl-2-(methylsulfonylmethyl)-1H-indole.

Molecular Properties

Compound Name4-methyl-2-(methylsulfonylmethyl)-1H-indole
PubChem CID117184823
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name4-methyl-2-(methylsulfonylmethyl)-1H-indole
SMILESCc1cccc2[nH]c(CS(C)(=O)=O)cc12
InChIInChI=1S/C11H13NO2S/c1-8-4-3-5-11-10(8)6-9(12-11)7-15(2,13)14/h3-6,12H,7H2,1-2H3
InChIKeyAAUIZRSQVDEYCA-UHFFFAOYSA-N
XLogP2.02
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-(methylsulfonylmethyl)-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

Related Compounds

2-(4-methyl-1H-indol-2-yl)ethanamine
CID 28806674
4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117184813
2,4-dimethyl-1H-indole;ethane
CID 91303970
2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole
CID 117184850
4-methyl-3-(methylsulfonylmethyl)-1H-indole
CID 117184546
6-tert-butyl-2-(methylsulfonylmethyl)-1H-indole
CID 58209228
2-(4-methylsulfonyl-1H-indol-2-yl)acetic acid
CID 83919857
2-amino-1-(4-methyl-1H-indol-2-yl)ethanone
CID 82405076
2-[4-(4-fluorophenyl)-4-methyl-2-(trifluoromethyl)pentyl]-4-methyl-1H-indole
CID 141074593
2-[(dimethylamino)methyl]-1H-indol-4-amine
CID 84662202
2-(methylaminomethyl)-1H-indol-4-amine
CID 117173105
3-(aminomethyl)-5-methyl-2H-isoquinolin-1-one
CID 84618695

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylsulfonylmethyl)-1H-indole?
The IUPAC name of 4-methyl-2-(methylsulfonylmethyl)-1H-indole (CID 117184823) is 4-methyl-2-(methylsulfonylmethyl)-1H-indole.
What is the SMILES notation for 4-methyl-2-(methylsulfonylmethyl)-1H-indole?
The canonical SMILES for 4-methyl-2-(methylsulfonylmethyl)-1H-indole is Cc1cccc2[nH]c(CS(C)(=O)=O)cc12.
What is the InChIKey of 4-methyl-2-(methylsulfonylmethyl)-1H-indole?
The InChIKey is AAUIZRSQVDEYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8-4-3-5-11-10(8)6-9(12-11)7-15(2,13)14/h3-6,12H,7H2,1-2H3.
What are the key properties of 4-methyl-2-(methylsulfonylmethyl)-1H-indole?
4-methyl-2-(methylsulfonylmethyl)-1H-indole has a molecular weight of 223.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylsulfonylmethyl)-1H-indole is sourced from PubChem (CID 117184823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).