4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide

C14H22N6O4S2 — CID 155509761

About 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide

4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide (PubChem CID 155509761) has the molecular formula C14H22N6O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide
• PubChem CID: 155509761
• Molecular Formula: C14H22N6O4S2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.11
• IUPAC Name: 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide
• SMILES: CCCc1nnc(N2CC(C(=O)N3CCN(S(N)(=O)=O)CC3)CC2=O)s1
• InChI: InChI=1S/C14H22N6O4S2/c1-2-3-11-16-17-14(25-11)20-9-10(8-12(20)21)13(22)18-4-6-19(7-5-18)26(15,23)24/h10H,2-9H2,1H3,(H2,15,23,24)
• InChIKey: XQRXLEZDGGGFSL-UHFFFAOYSA-N
• XLogP: -0.81
• TPSA: 129.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	-0.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide?

The IUPAC name of 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide (CID 155509761) is 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide.

What is the SMILES notation for 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide?

The canonical SMILES for 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide is CCCc1nnc(N2CC(C(=O)N3CCN(S(N)(=O)=O)CC3)CC2=O)s1.

What is the InChIKey of 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide?

The InChIKey is XQRXLEZDGGGFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O4S2/c1-2-3-11-16-17-14(25-11)20-9-10(8-12(20)21)13(22)18-4-6-19(7-5-18)26(15,23)24/h10H,2-9H2,1H3,(H2,15,23,24).

What are the key properties of 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide?

4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide has a molecular weight of 402.50 g/mol, XLogP of -0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 155509761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).