5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C10H15BrN4O2S — CID 22515880

IUPAC5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C10H15BrN4O2S/c1-14-2-4-15(5-3-14)18(16,17)9-6-8(11)7-13-10(9)12/h6-7H,2-5H2,1H3,(H2,12,13)
InChIKeyHDUQQKQVWFBPML-UHFFFAOYSA-N
MW335.23 g/mol
LogP0.36
Rot. Bonds2

About 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 22515880) has the molecular formula C10H15BrN4O2S and a molecular weight of 335.23 g/mol. Its IUPAC name is 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID22515880
Molecular FormulaC10H15BrN4O2S
Molecular Weight335.23 g/mol
Exact Mass334.01
IUPAC Name5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C10H15BrN4O2S/c1-14-2-4-15(5-3-14)18(16,17)9-6-8(11)7-13-10(9)12/h6-7H,2-5H2,1H3,(H2,12,13)
InChIKeyHDUQQKQVWFBPML-UHFFFAOYSA-N
XLogP0.36
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 22515880) is 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CN1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is HDUQQKQVWFBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2S/c1-14-2-4-15(5-3-14)18(16,17)9-6-8(11)7-13-10(9)12/h6-7H,2-5H2,1H3,(H2,12,13).
What are the key properties of 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 335.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 22515880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).