2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C19H25F3N2O6S — CID 155863273

About 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 155863273) has the molecular formula C19H25F3N2O6S and a molecular weight of 466.48 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
• PubChem CID: 155863273
• Molecular Formula: C19H25F3N2O6S
• Molecular Weight: 466.48 g/mol
• Exact Mass: 466.14
• IUPAC Name: 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
• SMILES: Cc1cccc(COC2CCOC3(C2)CN(S(=O)(=O)C2CC2)C3)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H24N2O4S.C2HF3O2/c1-13-3-2-4-14(18-13)10-22-15-7-8-23-17(9-15)11-19(12-17)24(20,21)16-5-6-16;3-2(4,5)1(6)7/h2-4,15-16H,5-12H2,1H3;(H,6,7)
• InChIKey: OLGKGRIKWCMNRT-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 106.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.48
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 155863273) is 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is Cc1cccc(COC2CCOC3(C2)CN(S(=O)(=O)C2CC2)C3)n1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?

The InChIKey is OLGKGRIKWCMNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S.C2HF3O2/c1-13-3-2-4-14(18-13)10-22-15-7-8-23-17(9-15)11-19(12-17)24(20,21)16-5-6-16;3-2(4,5)1(6)7/h2-4,15-16H,5-12H2,1H3;(H,6,7).

What are the key properties of 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?

2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 466.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropylsulfonyl-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155863273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).