[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol

C11H16BrN3O3S — CID 62152381

IUPAC[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C11H16BrN3O3S/c12-8-5-10(11(13)14-6-8)19(17,18)15-4-2-1-3-9(15)7-16/h5-6,9,16H,1-4,7H2,(H2,13,14)
InChIKeyLWNYMAMFCAARAP-UHFFFAOYSA-N
MW350.24 g/mol
LogP0.96
Rot. Bonds3

About [1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol

[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol (PubChem CID 62152381) 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]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
PubChem CID62152381
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C11H16BrN3O3S/c12-8-5-10(11(13)14-6-8)19(17,18)15-4-2-1-3-9(15)7-16/h5-6,9,16H,1-4,7H2,(H2,13,14)
InChIKeyLWNYMAMFCAARAP-UHFFFAOYSA-N
XLogP0.96
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212246
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
CID 62955833
[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 66260969
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66820212
[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol
CID 116636696
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 61112099
5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine
CID 104968716
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 103823679

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol (CID 62152381) is [1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol is Nc1ncc(Br)cc1S(=O)(=O)N1CCCCC1CO.
What is the InChIKey of [1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol?
The InChIKey is LWNYMAMFCAARAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c12-8-5-10(11(13)14-6-8)19(17,18)15-4-2-1-3-9(15)7-16/h5-6,9,16H,1-4,7H2,(H2,13,14).
What are the key properties of [1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol?
[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol has a molecular weight of 350.24 g/mol, XLogP of 0.96, 3 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]piperidin-2-yl]methanol is sourced from PubChem (CID 62152381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).