4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide

C11H17BrN4O2S — CID 106062105

IUPAC4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2ncccc2Br)CC1
InChIInChI=1S/C11H17BrN4O2S/c12-10-2-1-5-14-11(10)15-19(17,18)16-6-3-9(8-13)4-7-16/h1-2,5,9H,3-4,6-8,13H2,(H,14,15)
InChIKeyDZAGOIITYSPMQY-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.17
Rot. Bonds4

About 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide (PubChem CID 106062105) has the molecular formula C11H17BrN4O2S and a molecular weight of 349.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide
PubChem CID106062105
Molecular FormulaC11H17BrN4O2S
Molecular Weight349.25 g/mol
Exact Mass348.03
IUPAC Name4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2ncccc2Br)CC1
InChIInChI=1S/C11H17BrN4O2S/c12-10-2-1-5-14-11(10)15-19(17,18)16-6-3-9(8-13)4-7-16/h1-2,5,9H,3-4,6-8,13H2,(H,14,15)
InChIKeyDZAGOIITYSPMQY-UHFFFAOYSA-N
XLogP1.17
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 106071212
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963995
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)piperidine-1-sulfonamide
CID 106086848
4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
CID 106088800
1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide
CID 106062175
[1-(3-bromo-2-chlorophenyl)sulfonylpiperidin-4-yl]methanamine
CID 120999452
4-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 106069875
4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106087973
4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
CID 106083694
4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide
CID 106037007
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide (CID 106062105) is 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)Nc2ncccc2Br)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide?
The InChIKey is DZAGOIITYSPMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2S/c12-10-2-1-5-14-11(10)15-19(17,18)16-6-3-9(8-13)4-7-16/h1-2,5,9H,3-4,6-8,13H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide has a molecular weight of 349.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106062105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).