N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide

C16H21N3O3S — CID 163354804

IUPACN-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCOc1ccc2nc(N3CCCC(NS(C)(=O)=O)C3)ccc2c1
InChIInChI=1S/C16H21N3O3S/c1-22-14-6-7-15-12(10-14)5-8-16(17-15)19-9-3-4-13(11-19)18-23(2,20)21/h5-8,10,13,18H,3-4,9,11H2,1-2H3
InChIKeyPEDAHFJZYRNHTP-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide

N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 163354804) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide
PubChem CID163354804
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCOc1ccc2nc(N3CCCC(NS(C)(=O)=O)C3)ccc2c1
InChIInChI=1S/C16H21N3O3S/c1-22-14-6-7-15-12(10-14)5-8-16(17-15)19-9-3-4-13(11-19)18-23(2,20)21/h5-8,10,13,18H,3-4,9,11H2,1-2H3
InChIKeyPEDAHFJZYRNHTP-UHFFFAOYSA-N
XLogP1.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide
CID 155942655
2-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315183
N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide
CID 171328605
N-cyclobutyl-2-[1-(6-methoxyquinolin-2-yl)piperidin-4-yl]acetamide
CID 172881536
N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 97159828
N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079114
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721
N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
N-(1-pyrazin-2-ylpiperidin-3-yl)methanesulfonamide
CID 163354597
ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate
CID 36834270

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide (CID 163354804) is N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide is COc1ccc2nc(N3CCCC(NS(C)(=O)=O)C3)ccc2c1.
What is the InChIKey of N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is PEDAHFJZYRNHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-22-14-6-7-15-12(10-14)5-8-16(17-15)19-9-3-4-13(11-19)18-23(2,20)21/h5-8,10,13,18H,3-4,9,11H2,1-2H3.
What are the key properties of N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 163354804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).