8-(4-methylpiperidin-1-yl)sulfonylquinoline

C15H18N2O2S — CID 701759

IUPAC8-(4-methylpiperidin-1-yl)sulfonylquinoline
SMILESCC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C15H18N2O2S/c1-12-7-10-17(11-8-12)20(18,19)14-6-2-4-13-5-3-9-16-15(13)14/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyWBEAWJUOGGQIHO-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.66
Rot. Bonds2

About 8-(4-methylpiperidin-1-yl)sulfonylquinoline

8-(4-methylpiperidin-1-yl)sulfonylquinoline (PubChem CID 701759) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 8-(4-methylpiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(4-methylpiperidin-1-yl)sulfonylquinoline
PubChem CID701759
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name8-(4-methylpiperidin-1-yl)sulfonylquinoline
SMILESCC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C15H18N2O2S/c1-12-7-10-17(11-8-12)20(18,19)14-6-2-4-13-5-3-9-16-15(13)14/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyWBEAWJUOGGQIHO-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(4-methylpiperidin-1-yl)sulfonylquinoline (CID 701759) is 8-(4-methylpiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(4-methylpiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(4-methylpiperidin-1-yl)sulfonylquinoline is CC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 8-(4-methylpiperidin-1-yl)sulfonylquinoline?
The InChIKey is WBEAWJUOGGQIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-7-10-17(11-8-12)20(18,19)14-6-2-4-13-5-3-9-16-15(13)14/h2-6,9,12H,7-8,10-11H2,1H3.
What are the key properties of 8-(4-methylpiperidin-1-yl)sulfonylquinoline?
8-(4-methylpiperidin-1-yl)sulfonylquinoline has a molecular weight of 290.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 701759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).