N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide

C17H21N3O3S — CID 48734257

IUPACN-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCN(C1CCN(C(=O)c2ccc3ccccc3n2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-19(24(2,22)23)14-9-11-20(12-10-14)17(21)16-8-7-13-5-3-4-6-15(13)18-16/h3-8,14H,9-12H2,1-2H3
InChIKeyLMOWTPPATHMFLA-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.73
Rot. Bonds3

About N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide

N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 48734257) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID48734257
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCN(C1CCN(C(=O)c2ccc3ccccc3n2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-19(24(2,22)23)14-9-11-20(12-10-14)17(21)16-8-7-13-5-3-4-6-15(13)18-16/h3-8,14H,9-12H2,1-2H3
InChIKeyLMOWTPPATHMFLA-UHFFFAOYSA-N
XLogP1.73
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide
CID 17492386
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
[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 126911837
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 9228414

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide (CID 48734257) is N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide is CN(C1CCN(C(=O)c2ccc3ccccc3n2)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is LMOWTPPATHMFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-19(24(2,22)23)14-9-11-20(12-10-14)17(21)16-8-7-13-5-3-4-6-15(13)18-16/h3-8,14H,9-12H2,1-2H3.
What are the key properties of N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide?
N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 48734257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).