3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine

C11H16ClN3O2S — CID 79180594

IUPAC3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1C
InChIInChI=1S/C11H16ClN3O2S/c1-7-5-15(6-8(7)2)18(16,17)9-3-10(12)11(13)14-4-9/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14)
InChIKeyONXLMKKTHMLZIU-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.59
Rot. Bonds2

About 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine

3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 79180594) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
PubChem CID79180594
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1C
InChIInChI=1S/C11H16ClN3O2S/c1-7-5-15(6-8(7)2)18(16,17)9-3-10(12)11(13)14-4-9/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14)
InChIKeyONXLMKKTHMLZIU-UHFFFAOYSA-N
XLogP1.59
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538339
[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 79180624
3-chloro-5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64602066
5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine
CID 64601666
3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64600354
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 64600145
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601329
2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol
CID 64606200
6-amino-5-chloro-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 64608315
[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 79181055
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine
CID 79183789
6-amino-5-chloro-N-cyclopropylpyridine-3-sulfonamide
CID 64607555

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine (CID 79180594) is 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine is CC1CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1C.
What is the InChIKey of 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is ONXLMKKTHMLZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-7-5-15(6-8(7)2)18(16,17)9-3-10(12)11(13)14-4-9/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 289.79 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 79180594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).