N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

C18H22FN3O3S — CID 51942305

IUPACN-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C18H22FN3O3S/c1-12-16(8-14-5-6-15(19)9-17(14)21-12)18(23)22-7-3-4-13(11-22)10-20-26(2,24)25/h5-6,8-9,13,20H,3-4,7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyAEBZWEFRYBPQSV-ZDUSSCGKSA-N
MW379.46 g/mol
LogP2.08
Rot. Bonds4

About N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 51942305) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID51942305
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C18H22FN3O3S/c1-12-16(8-14-5-6-15(19)9-17(14)21-12)18(23)22-7-3-4-13(11-22)10-20-26(2,24)25/h5-6,8-9,13,20H,3-4,7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyAEBZWEFRYBPQSV-ZDUSSCGKSA-N
XLogP2.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51964813
(2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311477
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
(2,7-dimethylquinolin-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613099
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
ethyl 4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 46808248
N-[[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 55666010
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56504447
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone
CID 71877137

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (CID 51942305) is N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is AEBZWEFRYBPQSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-16(8-14-5-6-15(19)9-17(14)21-12)18(23)22-7-3-4-13(11-22)10-20-26(2,24)25/h5-6,8-9,13,20H,3-4,7,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 379.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 51942305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).