1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol

C11H16BrN3O3S — CID 103896892

IUPAC1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1O
InChIInChI=1S/C11H16BrN3O3S/c1-7-2-3-15(6-9(7)16)19(17,18)10-4-8(12)5-14-11(10)13/h4-5,7,9,16H,2-3,6H2,1H3,(H2,13,14)
InChIKeyHHBVQCZNTVQSDZ-UHFFFAOYSA-N
MW350.24 g/mol
LogP0.82
Rot. Bonds2

About 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol

1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol (PubChem CID 103896892) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol
PubChem CID103896892
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1O
InChIInChI=1S/C11H16BrN3O3S/c1-7-2-3-15(6-9(7)16)19(17,18)10-4-8(12)5-14-11(10)13/h4-5,7,9,16H,2-3,6H2,1H3,(H2,13,14)
InChIKeyHHBVQCZNTVQSDZ-UHFFFAOYSA-N
XLogP0.82
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66820212
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 64583956
5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63175019
1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperidin-3-ol
CID 103896903
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-(5-amino-2-bromo-4-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol
CID 102955200
tert-butyl 5-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carboxylate
CID 66820795
5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine
CID 104968716
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
5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62142835

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol (CID 103896892) is 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol is CC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1O.
What is the InChIKey of 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol?
The InChIKey is HHBVQCZNTVQSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-7-2-3-15(6-9(7)16)19(17,18)10-4-8(12)5-14-11(10)13/h4-5,7,9,16H,2-3,6H2,1H3,(H2,13,14).
What are the key properties of 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol?
1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol has a molecular weight of 350.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 103896892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).