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

C11H17BrN4O2S — CID 103823679

IUPAC5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CN(C)CCN1S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C11H17BrN4O2S/c1-8-7-15(2)3-4-16(8)19(17,18)10-5-9(12)6-14-11(10)13/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyLNZDXJHPGYOMGD-UHFFFAOYSA-N
MW349.25 g/mol
LogP0.75
Rot. Bonds2

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

5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 103823679) has the molecular formula C11H17BrN4O2S and a molecular weight of 349.25 g/mol. Its IUPAC name is 5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID103823679
Molecular FormulaC11H17BrN4O2S
Molecular Weight349.25 g/mol
Exact Mass348.03
IUPAC Name5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CN(C)CCN1S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C11H17BrN4O2S/c1-8-7-15(2)3-4-16(8)19(17,18)10-5-9(12)6-14-11(10)13/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyLNZDXJHPGYOMGD-UHFFFAOYSA-N
XLogP0.75
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine
CID 104968716
1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol
CID 103896892
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 64583956
(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66820212
[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
CID 62152381
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-5-bromopyridin-2-amine
CID 63155054
5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62142835
2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62147918
5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63175019
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one
CID 62143361
5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine
CID 62332316

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 103823679) is 5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine is CC1CN(C)CCN1S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is LNZDXJHPGYOMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2S/c1-8-7-15(2)3-4-16(8)19(17,18)10-5-9(12)6-14-11(10)13/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of 5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine?
5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 349.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 103823679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).