3-(4-bromopiperidin-1-yl)sulfonylpyridine

C10H13BrN2O2S — CID 80672721

IUPAC3-(4-bromopiperidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(Br)CC1
InChIInChI=1S/C10H13BrN2O2S/c11-9-3-6-13(7-4-9)16(14,15)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2
InChIKeyXHDIYWNNEOLXGM-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.63
Rot. Bonds2

About 3-(4-bromopiperidin-1-yl)sulfonylpyridine

3-(4-bromopiperidin-1-yl)sulfonylpyridine (PubChem CID 80672721) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 3-(4-bromopiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-(4-bromopiperidin-1-yl)sulfonylpyridine
PubChem CID80672721
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name3-(4-bromopiperidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(Br)CC1
InChIInChI=1S/C10H13BrN2O2S/c11-9-3-6-13(7-4-9)16(14,15)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2
InChIKeyXHDIYWNNEOLXGM-UHFFFAOYSA-N
XLogP1.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-bromopiperidin-1-yl)sulfonylpyridine 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

3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
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
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63877172
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
CID 90521218
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 18399942

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 3-(4-bromopiperidin-1-yl)sulfonylpyridine (CID 80672721) is 3-(4-bromopiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-(4-bromopiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 3-(4-bromopiperidin-1-yl)sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCC(Br)CC1.
What is the InChIKey of 3-(4-bromopiperidin-1-yl)sulfonylpyridine?
The InChIKey is XHDIYWNNEOLXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-9-3-6-13(7-4-9)16(14,15)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of 3-(4-bromopiperidin-1-yl)sulfonylpyridine?
3-(4-bromopiperidin-1-yl)sulfonylpyridine has a molecular weight of 305.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 80672721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).