4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine

C16H23F3N4O3S — CID 174173595

About 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine

4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine (PubChem CID 174173595) has the molecular formula C16H23F3N4O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine.

Molecular Properties

• Compound Name: 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
• PubChem CID: 174173595
• Molecular Formula: C16H23F3N4O3S
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.14
• IUPAC Name: 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
• SMILES: Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC2(CC[C@@H](N3CCOCC3)C2)C1
• InChI: InChI=1S/C16H23F3N4O3S/c1-21-14(8-13(20-21)16(17,18)19)27(24,25)23-10-15(11-23)3-2-12(9-15)22-4-6-26-7-5-22/h8,12H,2-7,9-11H2,1H3/t12-/m1/s1
• InChIKey: BHHODCXJNKVCPI-GFCCVEGCSA-N
• XLogP: 1.31
• TPSA: 67.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?

The IUPAC name of 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine (CID 174173595) is 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine.

What is the SMILES notation for 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?

The canonical SMILES for 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine is Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC2(CC[C@@H](N3CCOCC3)C2)C1.

What is the InChIKey of 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?

The InChIKey is BHHODCXJNKVCPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23F3N4O3S/c1-21-14(8-13(20-21)16(17,18)19)27(24,25)23-10-15(11-23)3-2-12(9-15)22-4-6-26-7-5-22/h8,12H,2-7,9-11H2,1H3/t12-/m1/s1.

What are the key properties of 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?

4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine has a molecular weight of 408.45 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine is sourced from PubChem (CID 174173595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).