5-(4-bromopiperidin-1-yl)sulfonylquinoline

C14H15BrN2O2S — CID 104774213

IUPAC5-(4-bromopiperidin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2ncccc12)N1CCC(Br)CC1
InChIInChI=1S/C14H15BrN2O2S/c15-11-6-9-17(10-7-11)20(18,19)14-5-1-4-13-12(14)3-2-8-16-13/h1-5,8,11H,6-7,9-10H2
InChIKeyXGXIIQTVFQNDPG-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.78
Rot. Bonds2

About 5-(4-bromopiperidin-1-yl)sulfonylquinoline

5-(4-bromopiperidin-1-yl)sulfonylquinoline (PubChem CID 104774213) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-(4-bromopiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name5-(4-bromopiperidin-1-yl)sulfonylquinoline
PubChem CID104774213
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name5-(4-bromopiperidin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2ncccc12)N1CCC(Br)CC1
InChIInChI=1S/C14H15BrN2O2S/c15-11-6-9-17(10-7-11)20(18,19)14-5-1-4-13-12(14)3-2-8-16-13/h1-5,8,11H,6-7,9-10H2
InChIKeyXGXIIQTVFQNDPG-UHFFFAOYSA-N
XLogP2.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.78
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

1-quinolin-5-ylsulfonylpiperidin-4-amine
CID 115752090
5-(4-methylpiperazin-1-yl)sulfonylquinoline
CID 115599575
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol
CID 115745017
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine
CID 114802283
5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
CID 119963237
3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one
CID 114500121
3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol
CID 104773999
5-methyl-1-quinolin-5-ylsulfonylpiperidin-3-amine
CID 104774086
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine
CID 125118643
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone
CID 62705833

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromopiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 5-(4-bromopiperidin-1-yl)sulfonylquinoline (CID 104774213) is 5-(4-bromopiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 5-(4-bromopiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 5-(4-bromopiperidin-1-yl)sulfonylquinoline is O=S(=O)(c1cccc2ncccc12)N1CCC(Br)CC1.
What is the InChIKey of 5-(4-bromopiperidin-1-yl)sulfonylquinoline?
The InChIKey is XGXIIQTVFQNDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c15-11-6-9-17(10-7-11)20(18,19)14-5-1-4-13-12(14)3-2-8-16-13/h1-5,8,11H,6-7,9-10H2.
What are the key properties of 5-(4-bromopiperidin-1-yl)sulfonylquinoline?
5-(4-bromopiperidin-1-yl)sulfonylquinoline has a molecular weight of 355.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromopiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 104774213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).