N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

C13H21BrN4O2S — CID 106070852

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C13H21BrN4O2S/c1-10-7-13(16-9-12(10)14)17-21(19,20)18-5-3-11(4-6-18)8-15-2/h7,9,11,15H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyGQSFYDVZIFIRQC-UHFFFAOYSA-N
MW377.31 g/mol
LogP1.74
Rot. Bonds5

About N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106070852) has the molecular formula C13H21BrN4O2S and a molecular weight of 377.31 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106070852
Molecular FormulaC13H21BrN4O2S
Molecular Weight377.31 g/mol
Exact Mass376.06
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C13H21BrN4O2S/c1-10-7-13(16-9-12(10)14)17-21(19,20)18-5-3-11(4-6-18)8-15-2/h7,9,11,15H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyGQSFYDVZIFIRQC-UHFFFAOYSA-N
XLogP1.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064498
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 106061089
N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106063201
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114869240
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
CID 106084219
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511
N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106060062
1-[1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120709723
1-[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978133
N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide
CID 79729960
1-[1-(2-bromo-4-chlorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120709705

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106070852) is N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)Nc2cc(C)c(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is GQSFYDVZIFIRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2S/c1-10-7-13(16-9-12(10)14)17-21(19,20)18-5-3-11(4-6-18)8-15-2/h7,9,11,15H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 377.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106070852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).