5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine

C9H12BrN3O2S — CID 22515864

IUPAC5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H12BrN3O2S/c10-7-5-8(9(11)12-6-7)16(14,15)13-3-1-2-4-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyREGMSELTKFOMKU-UHFFFAOYSA-N
MW306.19 g/mol
LogP1.21
Rot. Bonds2

About 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine

5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 22515864) has the molecular formula C9H12BrN3O2S and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID22515864
Molecular FormulaC9H12BrN3O2S
Molecular Weight306.19 g/mol
Exact Mass304.98
IUPAC Name5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H12BrN3O2S/c10-7-5-8(9(11)12-6-7)16(14,15)13-3-1-2-4-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyREGMSELTKFOMKU-UHFFFAOYSA-N
XLogP1.21
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 22515864) is 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine is Nc1ncc(Br)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is REGMSELTKFOMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2S/c10-7-5-8(9(11)12-6-7)16(14,15)13-3-1-2-4-13/h5-6H,1-4H2,(H2,11,12).
What are the key properties of 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine?
5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 306.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 22515864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).