2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide

C13H22N4O2S — CID 63234934

IUPAC2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCC(CN(C)S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16-8-5-11(6-9-16)10-17(2)20(18,19)12-4-3-7-15-13(12)14/h3-4,7,11H,5-6,8-10H2,1-2H3,(H2,14,15)
InChIKeyPQUQHIBCGFJTCK-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.63
Rot. Bonds4

About 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide

2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 63234934) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID63234934
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCC(CN(C)S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16-8-5-11(6-9-16)10-17(2)20(18,19)12-4-3-7-15-13(12)14/h3-4,7,11H,5-6,8-10H2,1-2H3,(H2,14,15)
InChIKeyPQUQHIBCGFJTCK-UHFFFAOYSA-N
XLogP0.63
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(cyclohexylmethyl)-N-methylpyridine-3-sulfonamide
CID 62151896
3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
CID 62156935
3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63275930
2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
CID 62157571
N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 118549662
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043946
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62146162
3-[cyclobutylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597236
N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305951
2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 65427611
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
CID 79381363
N-(cyclopropylmethyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62146200

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide (CID 63234934) is 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide is CN1CCC(CN(C)S(=O)(=O)c2cccnc2N)CC1.
What is the InChIKey of 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is PQUQHIBCGFJTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16-8-5-11(6-9-16)10-17(2)20(18,19)12-4-3-7-15-13(12)14/h3-4,7,11H,5-6,8-10H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 63234934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).