4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide

C13H22N4O2S — CID 106063201

IUPAC4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2cnccc2C)CC1
InChIInChI=1S/C13H22N4O2S/c1-11-3-6-15-10-13(11)16-20(18,19)17-7-4-12(5-8-17)9-14-2/h3,6,10,12,14,16H,4-5,7-9H2,1-2H3
InChIKeyCZNDNIQGBSJOEX-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.98
Rot. Bonds5

About 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide

4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide (PubChem CID 106063201) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide
PubChem CID106063201
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2cnccc2C)CC1
InChIInChI=1S/C13H22N4O2S/c1-11-3-6-15-10-13(11)16-20(18,19)17-7-4-12(5-8-17)9-14-2/h3,6,10,12,14,16H,4-5,7-9H2,1-2H3
InChIKeyCZNDNIQGBSJOEX-UHFFFAOYSA-N
XLogP0.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-pyridinyl)piperazine-1-sulfonamide
CID 55203430
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
CID 106084219
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 106061089
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070852
N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064498
N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
N-[2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119978274
4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
CID 106057817
N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106060062
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511
N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 55147573
4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106014232

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide (CID 106063201) is 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)Nc2cnccc2C)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide?
The InChIKey is CZNDNIQGBSJOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-11-3-6-15-10-13(11)16-20(18,19)17-7-4-12(5-8-17)9-14-2/h3,6,10,12,14,16H,4-5,7-9H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106063201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).