2,3-dimethyl-1-piperidin-1-ylsulfonylindole

C15H20N2O2S — CID 90164871

IUPAC2,3-dimethyl-1-piperidin-1-ylsulfonylindole
SMILESCc1c(C)n(S(=O)(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C15H20N2O2S/c1-12-13(2)17(15-9-5-4-8-14(12)15)20(18,19)16-10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyWLFWPRHMODTCAK-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.84
Rot. Bonds2

About 2,3-dimethyl-1-piperidin-1-ylsulfonylindole

2,3-dimethyl-1-piperidin-1-ylsulfonylindole (PubChem CID 90164871) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2,3-dimethyl-1-piperidin-1-ylsulfonylindole.

Molecular Properties

Compound Name2,3-dimethyl-1-piperidin-1-ylsulfonylindole
PubChem CID90164871
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2,3-dimethyl-1-piperidin-1-ylsulfonylindole
SMILESCc1c(C)n(S(=O)(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C15H20N2O2S/c1-12-13(2)17(15-9-5-4-8-14(12)15)20(18,19)16-10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyWLFWPRHMODTCAK-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-piperidin-1-ylsulfonylindole?
The IUPAC name of 2,3-dimethyl-1-piperidin-1-ylsulfonylindole (CID 90164871) is 2,3-dimethyl-1-piperidin-1-ylsulfonylindole.
What is the SMILES notation for 2,3-dimethyl-1-piperidin-1-ylsulfonylindole?
The canonical SMILES for 2,3-dimethyl-1-piperidin-1-ylsulfonylindole is Cc1c(C)n(S(=O)(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of 2,3-dimethyl-1-piperidin-1-ylsulfonylindole?
The InChIKey is WLFWPRHMODTCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-13(2)17(15-9-5-4-8-14(12)15)20(18,19)16-10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-piperidin-1-ylsulfonylindole?
2,3-dimethyl-1-piperidin-1-ylsulfonylindole has a molecular weight of 292.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-piperidin-1-ylsulfonylindole is sourced from PubChem (CID 90164871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).