8-(2-methylpiperidin-1-yl)sulfonylquinoline

C15H18N2O2S — CID 4522106

IUPAC8-(2-methylpiperidin-1-yl)sulfonylquinoline
SMILESCC1CCCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H18N2O2S/c1-12-6-2-3-11-17(12)20(18,19)14-9-4-7-13-8-5-10-16-15(13)14/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKeyWFXCZTXDGVVEPL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.80
Rot. Bonds2

About 8-(2-methylpiperidin-1-yl)sulfonylquinoline

8-(2-methylpiperidin-1-yl)sulfonylquinoline (PubChem CID 4522106) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 8-(2-methylpiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(2-methylpiperidin-1-yl)sulfonylquinoline
PubChem CID4522106
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name8-(2-methylpiperidin-1-yl)sulfonylquinoline
SMILESCC1CCCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H18N2O2S/c1-12-6-2-3-11-17(12)20(18,19)14-9-4-7-13-8-5-10-16-15(13)14/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKeyWFXCZTXDGVVEPL-UHFFFAOYSA-N
XLogP2.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(2-methylpiperidin-1-yl)sulfonylquinoline 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 8-(2-methylpiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(2-methylpiperidin-1-yl)sulfonylquinoline (CID 4522106) is 8-(2-methylpiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(2-methylpiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(2-methylpiperidin-1-yl)sulfonylquinoline is CC1CCCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 8-(2-methylpiperidin-1-yl)sulfonylquinoline?
The InChIKey is WFXCZTXDGVVEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-6-2-3-11-17(12)20(18,19)14-9-4-7-13-8-5-10-16-15(13)14/h4-5,7-10,12H,2-3,6,11H2,1H3.
What are the key properties of 8-(2-methylpiperidin-1-yl)sulfonylquinoline?
8-(2-methylpiperidin-1-yl)sulfonylquinoline has a molecular weight of 290.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 4522106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).