1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide

C16H24N6O4S — CID 155947004

About 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 155947004) has the molecular formula C16H24N6O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
• PubChem CID: 155947004
• Molecular Formula: C16H24N6O4S
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.16
• IUPAC Name: 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
• SMILES: Cc1noc(C2CCCN2C(=O)C(C)NS(=O)(=O)c2c(C)nn(C)c2C)n1
• InChI: InChI=1S/C16H24N6O4S/c1-9-14(11(3)21(5)18-9)27(24,25)20-10(2)16(23)22-8-6-7-13(22)15-17-12(4)19-26-15/h10,13,20H,6-8H2,1-5H3
• InChIKey: XPGLOZAXXZMWSM-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 123.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide?

The IUPAC name of 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide (CID 155947004) is 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide.

What is the SMILES notation for 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide?

The canonical SMILES for 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide is Cc1noc(C2CCCN2C(=O)C(C)NS(=O)(=O)c2c(C)nn(C)c2C)n1.

What is the InChIKey of 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide?

The InChIKey is XPGLOZAXXZMWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4S/c1-9-14(11(3)21(5)18-9)27(24,25)20-10(2)16(23)22-8-6-7-13(22)15-17-12(4)19-26-15/h10,13,20H,6-8H2,1-5H3.

What are the key properties of 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide?

1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 396.47 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 155947004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).