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

C15H20N2O2S — CID 113087981

IUPAC1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
SMILESCn1c(C2CCN(S(C)(=O)=O)CC2)cc2ccccc21
InChIInChI=1S/C15H20N2O2S/c1-16-14-6-4-3-5-13(14)11-15(16)12-7-9-17(10-8-12)20(2,18)19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBJGMOWOCOZUZMV-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.32
Rot. Bonds2

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

1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole (PubChem CID 113087981) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole.

Molecular Properties

Compound Name1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
PubChem CID113087981
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
SMILESCn1c(C2CCN(S(C)(=O)=O)CC2)cc2ccccc21
InChIInChI=1S/C15H20N2O2S/c1-16-14-6-4-3-5-13(14)11-15(16)12-7-9-17(10-8-12)20(2,18)19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBJGMOWOCOZUZMV-UHFFFAOYSA-N
XLogP2.32
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
CID 165433195
3,5-dimethyl-4-[4-(1-methylindol-2-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 113088010
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088443
2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
CID 113088481
5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7299675
tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 97181730
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole?
The IUPAC name of 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole (CID 113087981) is 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole.
What is the SMILES notation for 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole?
The canonical SMILES for 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole is Cn1c(C2CCN(S(C)(=O)=O)CC2)cc2ccccc21.
What is the InChIKey of 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole?
The InChIKey is BJGMOWOCOZUZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-16-14-6-4-3-5-13(14)11-15(16)12-7-9-17(10-8-12)20(2,18)19/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole?
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole has a molecular weight of 292.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole is sourced from PubChem (CID 113087981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).