5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine

C13H21BrN4O2S — CID 63175019

IUPAC5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C13H21BrN4O2S/c1-3-17(4-2)11-5-6-18(9-11)21(19,20)12-7-10(14)8-16-13(12)15/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyJZIRNKQVEYAUQV-UHFFFAOYSA-N
MW377.31 g/mol
LogP1.53
Rot. Bonds5

About 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine

5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 63175019) has the molecular formula C13H21BrN4O2S and a molecular weight of 377.31 g/mol. Its IUPAC name is 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
PubChem CID63175019
Molecular FormulaC13H21BrN4O2S
Molecular Weight377.31 g/mol
Exact Mass376.06
IUPAC Name5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C13H21BrN4O2S/c1-3-17(4-2)11-5-6-18(9-11)21(19,20)12-7-10(14)8-16-13(12)15/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyJZIRNKQVEYAUQV-UHFFFAOYSA-N
XLogP1.53
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine (CID 63175019) is 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine is CCN(CC)C1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1.
What is the InChIKey of 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is JZIRNKQVEYAUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2S/c1-3-17(4-2)11-5-6-18(9-11)21(19,20)12-7-10(14)8-16-13(12)15/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16).
What are the key properties of 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 377.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 63175019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).