3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine

C11H16ClN3O2S — CID 64608492

IUPAC3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCCC2C)cc1Cl
InChIInChI=1S/C11H16ClN3O2S/c1-8-4-3-5-15(8)18(16,17)9-6-10(12)11(13-2)14-7-9/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyJUGIPYXRWMRKLU-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.95
Rot. Bonds3

About 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine

3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 64608492) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
PubChem CID64608492
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCCC2C)cc1Cl
InChIInChI=1S/C11H16ClN3O2S/c1-8-4-3-5-15(8)18(16,17)9-6-10(12)11(13-2)14-7-9/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyJUGIPYXRWMRKLU-UHFFFAOYSA-N
XLogP1.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64602085
3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine
CID 64600747
2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
CID 60974393
3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608504
3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608915
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64600339
3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine
CID 64602625
3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64602429
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 64606663
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
CID 58733463

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine (CID 64608492) is 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine is CNc1ncc(S(=O)(=O)N2CCCC2C)cc1Cl.
What is the InChIKey of 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is JUGIPYXRWMRKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-8-4-3-5-15(8)18(16,17)9-6-10(12)11(13-2)14-7-9/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 289.79 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64608492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).