3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one

C15H16N2O3S — CID 114500121

IUPAC3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one
SMILESCC1CN(S(=O)(=O)c2cccc3ncccc23)CCC1=O
InChIInChI=1S/C15H16N2O3S/c1-11-10-17(9-7-14(11)18)21(19,20)15-6-2-5-13-12(15)4-3-8-16-13/h2-6,8,11H,7,9-10H2,1H3
InChIKeyQQJJENZVDQVETP-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.83
Rot. Bonds2

About 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one

3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one (PubChem CID 114500121) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one
PubChem CID114500121
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one
SMILESCC1CN(S(=O)(=O)c2cccc3ncccc23)CCC1=O
InChIInChI=1S/C15H16N2O3S/c1-11-10-17(9-7-14(11)18)21(19,20)15-6-2-5-13-12(15)4-3-8-16-13/h2-6,8,11H,7,9-10H2,1H3
InChIKeyQQJJENZVDQVETP-UHFFFAOYSA-N
XLogP1.83
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one?
The IUPAC name of 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one (CID 114500121) is 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one.
What is the SMILES notation for 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one?
The canonical SMILES for 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one is CC1CN(S(=O)(=O)c2cccc3ncccc23)CCC1=O.
What is the InChIKey of 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one?
The InChIKey is QQJJENZVDQVETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-10-17(9-7-14(11)18)21(19,20)15-6-2-5-13-12(15)4-3-8-16-13/h2-6,8,11H,7,9-10H2,1H3.
What are the key properties of 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one?
3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one has a molecular weight of 304.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one is sourced from PubChem (CID 114500121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).