4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide

C16H22N6O4S — CID 129470983

About 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 129470983) has the molecular formula C16H22N6O4S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
• PubChem CID: 129470983
• Molecular Formula: C16H22N6O4S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.14
• IUPAC Name: 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
• SMILES: Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(C(N)=O)n(C)c3)C2=O)n(C)n1
• InChI: InChI=1S/C16H22N6O4S/c1-10-7-14(21(3)18-10)22-6-4-5-12(16(22)24)19-27(25,26)11-8-13(15(17)23)20(2)9-11/h7-9,12,19H,4-6H2,1-3H3,(H2,17,23)/t12-/m1/s1
• InChIKey: DEYPRFVOYRTOEY-GFCCVEGCSA-N
• XLogP: -0.36
• TPSA: 132.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	-0.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide?

The IUPAC name of 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 129470983) is 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide.

What is the SMILES notation for 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide?

The canonical SMILES for 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide is Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(C(N)=O)n(C)c3)C2=O)n(C)n1.

What is the InChIKey of 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide?

The InChIKey is DEYPRFVOYRTOEY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O4S/c1-10-7-14(21(3)18-10)22-6-4-5-12(16(22)24)19-27(25,26)11-8-13(15(17)23)20(2)9-11/h7-9,12,19H,4-6H2,1-3H3,(H2,17,23)/t12-/m1/s1.

What are the key properties of 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide?

4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 394.46 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 129470983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).