N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine

C18H23N3O2S — CID 102539737

IUPACN-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
SMILESCNc1ccc(C2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C18H23N3O2S/c1-14-6-9-16(10-7-14)24(22,23)21-12-4-3-5-17(21)15-8-11-18(19-2)20-13-15/h6-11,13,17H,3-5,12H2,1-2H3,(H,19,20)
InChIKeyLOZGKTKLQNKLRM-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.35
Rot. Bonds4

About N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine

N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine (PubChem CID 102539737) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
PubChem CID102539737
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
SMILESCNc1ccc(C2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C18H23N3O2S/c1-14-6-9-16(10-7-14)24(22,23)21-12-4-3-5-17(21)15-8-11-18(19-2)20-13-15/h6-11,13,17H,3-5,12H2,1-2H3,(H,19,20)
InChIKeyLOZGKTKLQNKLRM-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102540406
N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 102540039
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
2-(2,5-dimethylpyrrol-1-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102541906
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
2-ethylsulfanyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102542078
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500923
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 65324662

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine (CID 102539737) is N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine is CNc1ccc(C2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine?
The InChIKey is LOZGKTKLQNKLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-6-9-16(10-7-14)24(22,23)21-12-4-3-5-17(21)15-8-11-18(19-2)20-13-15/h6-11,13,17H,3-5,12H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine?
N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine has a molecular weight of 345.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 102539737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).