2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide

C15H24N6O2S — CID 128977860

About 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide

2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide (PubChem CID 128977860) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
• PubChem CID: 128977860
• Molecular Formula: C15H24N6O2S
• Molecular Weight: 352.46 g/mol
• Exact Mass: 352.17
• IUPAC Name: 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
• SMILES: CN1CCC[C@@H](CNS(=O)(=O)c2ccnn2C)[C@@H]1c1ccnn1C
• InChI: InChI=1S/C15H24N6O2S/c1-19-10-4-5-12(15(19)13-6-8-16-20(13)2)11-18-24(22,23)14-7-9-17-21(14)3/h6-9,12,15,18H,4-5,10-11H2,1-3H3/t12-,15+/m0/s1
• InChIKey: FWNBVCYSVGLVMH-SWLSCSKDSA-N
• XLogP: 0.51
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.46
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide?

The IUPAC name of 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide (CID 128977860) is 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide.

What is the SMILES notation for 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide?

The canonical SMILES for 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide is CN1CCC[C@@H](CNS(=O)(=O)c2ccnn2C)[C@@H]1c1ccnn1C.

What is the InChIKey of 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide?

The InChIKey is FWNBVCYSVGLVMH-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-19-10-4-5-12(15(19)13-6-8-16-20(13)2)11-18-24(22,23)14-7-9-17-21(14)3/h6-9,12,15,18H,4-5,10-11H2,1-3H3/t12-,15+/m0/s1.

What are the key properties of 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide?

2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 128977860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).