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

C15H20N2O2S — CID 113088695

IUPAC5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
SMILESCc1ccc2[nH]c(C3CCCN(S(C)(=O)=O)C3)cc2c1
InChIInChI=1S/C15H20N2O2S/c1-11-5-6-14-13(8-11)9-15(16-14)12-4-3-7-17(10-12)20(2,18)19/h5-6,8-9,12,16H,3-4,7,10H2,1-2H3
InChIKeyOVAIFPZRYGYHSV-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.62
Rot. Bonds2

About 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole

5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole (PubChem CID 113088695) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole.

Molecular Properties

Compound Name5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
PubChem CID113088695
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
SMILESCc1ccc2[nH]c(C3CCCN(S(C)(=O)=O)C3)cc2c1
InChIInChI=1S/C15H20N2O2S/c1-11-5-6-14-13(8-11)9-15(16-14)12-4-3-7-17(10-12)20(2,18)19/h5-6,8-9,12,16H,3-4,7,10H2,1-2H3
InChIKeyOVAIFPZRYGYHSV-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

Analyze 5-methyl-2-(1-methylsulfonylpiperidin-3-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

Related Compounds

5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088723
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
CID 113088645
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113088376
2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
CID 113088941
5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole
CID 113088100

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole?
The IUPAC name of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole (CID 113088695) is 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole.
What is the SMILES notation for 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole?
The canonical SMILES for 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole is Cc1ccc2[nH]c(C3CCCN(S(C)(=O)=O)C3)cc2c1.
What is the InChIKey of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole?
The InChIKey is OVAIFPZRYGYHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-5-6-14-13(8-11)9-15(16-14)12-4-3-7-17(10-12)20(2,18)19/h5-6,8-9,12,16H,3-4,7,10H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole?
5-methyl-2-(1-methylsulfonylpiperidin-3-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 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole is sourced from PubChem (CID 113088695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).