5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine

C11H16BrN3O3S — CID 64583956

IUPAC5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCOCC1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C11H16BrN3O3S/c1-18-7-8-2-3-15(6-8)19(16,17)10-4-9(12)5-14-11(10)13/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14)
InChIKeyMKBGYDCWEZQRIY-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.08
Rot. Bonds4

About 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine

5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 64583956) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
PubChem CID64583956
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCOCC1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C11H16BrN3O3S/c1-18-7-8-2-3-15(6-8)19(16,17)10-4-9(12)5-14-11(10)13/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14)
InChIKeyMKBGYDCWEZQRIY-UHFFFAOYSA-N
XLogP1.08
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66820212
5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63175019
1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol
CID 103896892
3-bromo-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridine
CID 64598277
5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 99578182
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
1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine
CID 64569008
5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62142835
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine (CID 64583956) is 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine is COCC1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1.
What is the InChIKey of 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is MKBGYDCWEZQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-18-7-8-2-3-15(6-8)19(16,17)10-4-9(12)5-14-11(10)13/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14).
What are the key properties of 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 350.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 64583956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).