N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide

C13H18ClN3O3S — CID 81231053

IUPACN-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCc1cc(Cl)c(C(=O)N2CCCC(NS(C)(=O)=O)C2)cn1
InChIInChI=1S/C13H18ClN3O3S/c1-9-6-12(14)11(7-15-9)13(18)17-5-3-4-10(8-17)16-21(2,19)20/h6-7,10,16H,3-5,8H2,1-2H3
InChIKeyFQWUWQHCUFLXKU-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.20
Rot. Bonds3

About N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide

N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 81231053) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID81231053
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC NameN-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCc1cc(Cl)c(C(=O)N2CCCC(NS(C)(=O)=O)C2)cn1
InChIInChI=1S/C13H18ClN3O3S/c1-9-6-12(14)11(7-15-9)13(18)17-5-3-4-10(8-17)16-21(2,19)20/h6-7,10,16H,3-5,8H2,1-2H3
InChIKeyFQWUWQHCUFLXKU-UHFFFAOYSA-N
XLogP1.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485
N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 61107146
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 103893902
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
(4-chloro-6-methyl-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103863071
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
(4-chloro-6-methyl-3-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624918
(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114217672
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
CID 103907786
N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079114

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide (CID 81231053) is N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide is Cc1cc(Cl)c(C(=O)N2CCCC(NS(C)(=O)=O)C2)cn1.
What is the InChIKey of N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is FQWUWQHCUFLXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-9-6-12(14)11(7-15-9)13(18)17-5-3-4-10(8-17)16-21(2,19)20/h6-7,10,16H,3-5,8H2,1-2H3.
What are the key properties of N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 331.83 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 81231053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).