2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole

C15H20N2O2S — CID 47320292

IUPAC2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESCc1[nH]c2ccccc2c1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H20N2O2S/c1-11-15(13-5-3-4-6-14(13)16-11)12-7-9-17(10-8-12)20(2,18)19/h3-6,12,16H,7-10H2,1-2H3
InChIKeyRAIXEMOUKWSTSX-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.62
Rot. Bonds2

About 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole

2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 47320292) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
PubChem CID47320292
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESCc1[nH]c2ccccc2c1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H20N2O2S/c1-11-15(13-5-3-4-6-14(13)16-11)12-7-9-17(10-8-12)20(2,18)19/h3-6,12,16H,7-10H2,1-2H3
InChIKeyRAIXEMOUKWSTSX-UHFFFAOYSA-N
XLogP2.62
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-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 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The IUPAC name of 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole (CID 47320292) is 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole is Cc1[nH]c2ccccc2c1C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The InChIKey is RAIXEMOUKWSTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-15(13-5-3-4-6-14(13)16-11)12-7-9-17(10-8-12)20(2,18)19/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 292.40 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 47320292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).