4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide

C11H19N5O2S — CID 106084219

IUPAC4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2cccnn2)CC1
InChIInChI=1S/C11H19N5O2S/c1-12-9-10-4-7-16(8-5-10)19(17,18)15-11-3-2-6-13-14-11/h2-3,6,10,12H,4-5,7-9H2,1H3,(H,14,15)
InChIKeyPFDRXAIXYIWDMI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.06
Rot. Bonds5

About 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide

4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide (PubChem CID 106084219) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
PubChem CID106084219
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2cccnn2)CC1
InChIInChI=1S/C11H19N5O2S/c1-12-9-10-4-7-16(8-5-10)19(17,18)15-11-3-2-6-13-14-11/h2-3,6,10,12H,4-5,7-9H2,1H3,(H,14,15)
InChIKeyPFDRXAIXYIWDMI-UHFFFAOYSA-N
XLogP0.06
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106063201
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070852
4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
CID 106057817
N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106060062
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 106061089
N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064498
4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide
CID 106009682
N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)piperidine-1-sulfonamide
CID 106086848
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511
N-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridazin-3-amine
CID 131960943
4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106064163

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide (CID 106084219) is 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)Nc2cccnn2)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide?
The InChIKey is PFDRXAIXYIWDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-12-9-10-4-7-16(8-5-10)19(17,18)15-11-3-2-6-13-14-11/h2-3,6,10,12H,4-5,7-9H2,1H3,(H,14,15).
What are the key properties of 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide?
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 106084219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).