1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione

C17H27N5O4S — CID 131703748

About 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione

1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 131703748) has the molecular formula C17H27N5O4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione
• PubChem CID: 131703748
• Molecular Formula: C17H27N5O4S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.18
• IUPAC Name: 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione
• SMILES: Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1
• InChI: InChI=1S/C17H27N5O4S/c1-11(2)22-13(4)16(12(3)18-22)27(25,26)20-8-6-14(7-9-20)21-10-15(23)19(5)17(21)24/h11,14H,6-10H2,1-5H3
• InChIKey: GLXWJSDRUHEDHC-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 95.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione?

The IUPAC name of 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione (CID 131703748) is 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione?

The canonical SMILES for 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1.

What is the InChIKey of 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione?

The InChIKey is GLXWJSDRUHEDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4S/c1-11(2)22-13(4)16(12(3)18-22)27(25,26)20-8-6-14(7-9-20)21-10-15(23)19(5)17(21)24/h11,14H,6-10H2,1-5H3.

What are the key properties of 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione?

1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 397.50 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 131703748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).