(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone

C16H18N2O3S — CID 90586527

IUPAC(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H18N2O3S/c1-22(20,21)13-8-10-18(11-9-13)16(19)15-7-6-12-4-2-3-5-14(12)17-15/h2-7,13H,8-11H2,1H3
InChIKeyRPBMGQHWQDEGMY-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.88
Rot. Bonds2

About (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone

(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone (PubChem CID 90586527) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
PubChem CID90586527
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H18N2O3S/c1-22(20,21)13-8-10-18(11-9-13)16(19)15-7-6-12-4-2-3-5-14(12)17-15/h2-7,13H,8-11H2,1H3
InChIKeyRPBMGQHWQDEGMY-UHFFFAOYSA-N
XLogP1.88
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 48734257
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone
CID 53235176
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 79868417
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 46511035
N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide
CID 17492386
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone?
The IUPAC name of (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone (CID 90586527) is (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone is CS(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3n2)CC1.
What is the InChIKey of (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone?
The InChIKey is RPBMGQHWQDEGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-22(20,21)13-8-10-18(11-9-13)16(19)15-7-6-12-4-2-3-5-14(12)17-15/h2-7,13H,8-11H2,1H3.
What are the key properties of (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone?
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone has a molecular weight of 318.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 90586527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).