N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

C18H25N3O2S — CID 95218558

IUPACN-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c2cccnc12
InChIInChI=1S/C18H25N3O2S/c1-14-7-8-16(17-6-3-9-19-18(14)17)13-21-10-4-5-15(12-21)11-20-24(2,22)23/h3,6-9,15,20H,4-5,10-13H2,1-2H3/t15-/m0/s1
InChIKeyHKVWVSNXDJIHSC-HNNXBMFYSA-N
MW347.48 g/mol
LogP2.30
Rot. Bonds5

About N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 95218558) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID95218558
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c2cccnc12
InChIInChI=1S/C18H25N3O2S/c1-14-7-8-16(17-6-3-9-19-18(14)17)13-21-10-4-5-15(12-21)11-20-24(2,22)23/h3,6-9,15,20H,4-5,10-13H2,1-2H3/t15-/m0/s1
InChIKeyHKVWVSNXDJIHSC-HNNXBMFYSA-N
XLogP2.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[(3R)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42514082
N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97237584
N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95221553
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56804774
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45178644
N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45210111
N-[[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42193690
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 95211899
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 72878212
ethyl (3S)-1-[(8-hydroxyquinolin-5-yl)methyl]piperidine-3-carboxylate
CID 698137
N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 66410814
N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 42960018

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (CID 95218558) is N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is Cc1ccc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c2cccnc12.
What is the InChIKey of N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is HKVWVSNXDJIHSC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-7-8-16(17-6-3-9-19-18(14)17)13-21-10-4-5-15(12-21)11-20-24(2,22)23/h3,6-9,15,20H,4-5,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95218558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).