5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine

C10H14BrN3O3S — CID 103538299

IUPAC5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCOC1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C10H14BrN3O3S/c1-17-8-2-3-14(6-8)18(15,16)9-4-7(11)5-13-10(9)12/h4-5,8H,2-3,6H2,1H3,(H2,12,13)
InChIKeyXLCUSBKUCAPCHB-UHFFFAOYSA-N
MW336.21 g/mol
LogP0.84
Rot. Bonds3

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

5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 103538299) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
PubChem CID103538299
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCOC1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C10H14BrN3O3S/c1-17-8-2-3-14(6-8)18(15,16)9-4-7(11)5-13-10(9)12/h4-5,8H,2-3,6H2,1H3,(H2,12,13)
InChIKeyXLCUSBKUCAPCHB-UHFFFAOYSA-N
XLogP0.84
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 64583956
5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 99578182
(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66820212
1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol
CID 103896892
5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63175019
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113
[5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61299120
2-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166334751
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-5-bromopyridin-2-amine
CID 63155054
4-bromo-5-fluoro-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 106492202
5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62142835
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile
CID 79676095

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine (CID 103538299) is 5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine is COC1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1.
What is the InChIKey of 5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is XLCUSBKUCAPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c1-17-8-2-3-14(6-8)18(15,16)9-4-7(11)5-13-10(9)12/h4-5,8H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of 5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 336.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 103538299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).