N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide

C27H33N7O5S — CID 172634249

About N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide

N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide (PubChem CID 172634249) has the molecular formula C27H33N7O5S and a molecular weight of 567.67 g/mol. Its IUPAC name is N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide.

Molecular Properties

• Compound Name: N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide
• PubChem CID: 172634249
• Molecular Formula: C27H33N7O5S
• Molecular Weight: 567.67 g/mol
• Exact Mass: 567.23
• IUPAC Name: N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide
• SMILES: Cc1cc(-c2nnc(-c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)o2)nc(N2CC3(COC3)C2)n1
• InChI: InChI=1S/C27H33N7O5S/c1-18-12-21(29-25(28-18)34-14-27(15-34)16-38-17-27)24-31-30-23(39-24)20-3-2-19(32-40(36,37)11-10-35)13-22(20)33-8-6-26(4-5-26)7-9-33/h2-3,12-13,32,35H,4-11,14-17H2,1H3
• InChIKey: VKQSNGRLLMDQGP-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 146.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.67
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide?

The IUPAC name of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide (CID 172634249) is N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide.

What is the SMILES notation for N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide?

The canonical SMILES for N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide is Cc1cc(-c2nnc(-c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)o2)nc(N2CC3(COC3)C2)n1.

What is the InChIKey of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide?

The InChIKey is VKQSNGRLLMDQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O5S/c1-18-12-21(29-25(28-18)34-14-27(15-34)16-38-17-27)24-31-30-23(39-24)20-3-2-19(32-40(36,37)11-10-35)13-22(20)33-8-6-26(4-5-26)7-9-33/h2-3,12-13,32,35H,4-11,14-17H2,1H3.

What are the key properties of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide?

N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide has a molecular weight of 567.67 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 172634249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).