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

C21H27N3O2S — CID 102540406

IUPACN-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2ccc(NC3CCC3)nc2)cc1
InChIInChI=1S/C21H27N3O2S/c1-16-8-11-19(12-9-16)27(25,26)24-14-3-2-7-20(24)17-10-13-21(22-15-17)23-18-5-4-6-18/h8-13,15,18,20H,2-7,14H2,1H3,(H,22,23)
InChIKeyLTQCEYGBCADHQF-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.27
Rot. Bonds5

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

N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine (PubChem CID 102540406) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
PubChem CID102540406
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2ccc(NC3CCC3)nc2)cc1
InChIInChI=1S/C21H27N3O2S/c1-16-8-11-19(12-9-16)27(25,26)24-14-3-2-7-20(24)17-10-13-21(22-15-17)23-18-5-4-6-18/h8-13,15,18,20H,2-7,14H2,1H3,(H,22,23)
InChIKeyLTQCEYGBCADHQF-UHFFFAOYSA-N
XLogP4.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102539737
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
N-cyclobutyl-5-(1-ethylpiperidin-2-yl)pyridin-2-amine
CID 102540395
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

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine?
The IUPAC name of N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine (CID 102540406) is N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine is Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(NC3CCC3)nc2)cc1.
What is the InChIKey of N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine?
The InChIKey is LTQCEYGBCADHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16-8-11-19(12-9-16)27(25,26)24-14-3-2-7-20(24)17-10-13-21(22-15-17)23-18-5-4-6-18/h8-13,15,18,20H,2-7,14H2,1H3,(H,22,23).
What are the key properties of N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine?
N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine has a molecular weight of 385.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 102540406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).