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

C10H14BrN3O2S — CID 22515929

IUPAC5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H14BrN3O2S/c11-8-6-9(10(12)13-7-8)17(15,16)14-4-2-1-3-5-14/h6-7H,1-5H2,(H2,12,13)
InChIKeyLNLGZHCBWVPLMI-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.60
Rot. Bonds2

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

5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 22515929) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID22515929
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H14BrN3O2S/c11-8-6-9(10(12)13-7-8)17(15,16)14-4-2-1-3-5-14/h6-7H,1-5H2,(H2,12,13)
InChIKeyLNLGZHCBWVPLMI-UHFFFAOYSA-N
XLogP1.60
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine (CID 22515929) is 5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine is Nc1ncc(Br)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is LNLGZHCBWVPLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c11-8-6-9(10(12)13-7-8)17(15,16)14-4-2-1-3-5-14/h6-7H,1-5H2,(H2,12,13).
What are the key properties of 5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine?
5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 320.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 22515929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).