N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine

C18H23N3O2S — CID 102540039

IUPACN-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
SMILESCCNc1ccc(C2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C18H23N3O2S/c1-3-19-18-11-8-15(13-20-18)17-5-4-12-21(17)24(22,23)16-9-6-14(2)7-10-16/h6-11,13,17H,3-5,12H2,1-2H3,(H,19,20)
InChIKeyMDJFWYCAYMSWIW-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.35
Rot. Bonds5

About N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine

N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine (PubChem CID 102540039) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
PubChem CID102540039
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
SMILESCCNc1ccc(C2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C18H23N3O2S/c1-3-19-18-11-8-15(13-20-18)17-5-4-12-21(17)24(22,23)16-9-6-14(2)7-10-16/h6-11,13,17H,3-5,12H2,1-2H3,(H,19,20)
InChIKeyMDJFWYCAYMSWIW-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102539737
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102540406
2-ethylsulfanyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102542078
2-(2,5-dimethylpyrrol-1-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102541906
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
N,N-diethyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 24678968
tert-butyl N-butyl-N-[5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]carbamate
CID 102541014
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine (CID 102540039) is N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine is CCNc1ccc(C2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is MDJFWYCAYMSWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-19-18-11-8-15(13-20-18)17-5-4-12-21(17)24(22,23)16-9-6-14(2)7-10-16/h6-11,13,17H,3-5,12H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine?
N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 345.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 102540039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).