N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide

C28H35N7O5S — CID 172634259

About N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-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-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide (PubChem CID 172634259) has the molecular formula C28H35N7O5S and a molecular weight of 581.70 g/mol. Its IUPAC name is N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-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-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide
• PubChem CID: 172634259
• Molecular Formula: C28H35N7O5S
• Molecular Weight: 581.70 g/mol
• Exact Mass: 581.24
• IUPAC Name: N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-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(N2CCOC3(CC3)C2)n1
• InChI: InChI=1S/C28H35N7O5S/c1-19-16-22(30-26(29-19)35-12-14-39-28(18-35)6-7-28)25-32-31-24(40-25)21-3-2-20(33-41(37,38)15-13-36)17-23(21)34-10-8-27(4-5-27)9-11-34/h2-3,16-17,33,36H,4-15,18H2,1H3
• InChIKey: GEZHWJCNARCZRB-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 146.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.70
LogP ≤ 5	2.99
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-(4-oxa-7-azaspiro[2.5]octan-7-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-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide (CID 172634259) is N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-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-(4-oxa-7-azaspiro[2.5]octan-7-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-(4-oxa-7-azaspiro[2.5]octan-7-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(N2CCOC3(CC3)C2)n1.

What is the InChIKey of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide?

The InChIKey is GEZHWJCNARCZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O5S/c1-19-16-22(30-26(29-19)35-12-14-39-28(18-35)6-7-28)25-32-31-24(40-25)21-3-2-20(33-41(37,38)15-13-36)17-23(21)34-10-8-27(4-5-27)9-11-34/h2-3,16-17,33,36H,4-15,18H2,1H3.

What are the key properties of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[6-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-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-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide has a molecular weight of 581.70 g/mol, XLogP of 2.99, 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-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 172634259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).