3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine

C11H15BrN2O2S — CID 80668698

IUPAC3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(CBr)CC1
InChIInChI=1S/C11H15BrN2O2S/c12-8-10-3-6-14(7-4-10)17(15,16)11-2-1-5-13-9-11/h1-2,5,9-10H,3-4,6-8H2
InChIKeyMIIIOABVSMLTLQ-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.88
Rot. Bonds3

About 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine

3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine (PubChem CID 80668698) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
PubChem CID80668698
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(CBr)CC1
InChIInChI=1S/C11H15BrN2O2S/c12-8-10-3-6-14(7-4-10)17(15,16)11-2-1-5-13-9-11/h1-2,5,9-10H,3-4,6-8H2
InChIKeyMIIIOABVSMLTLQ-UHFFFAOYSA-N
XLogP1.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
CID 90521218
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63877172
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596

Frequently Asked Questions

What is the IUPAC name of 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine (CID 80668698) is 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCC(CBr)CC1.
What is the InChIKey of 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is MIIIOABVSMLTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-8-10-3-6-14(7-4-10)17(15,16)11-2-1-5-13-9-11/h1-2,5,9-10H,3-4,6-8H2.
What are the key properties of 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine?
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 319.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 80668698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).