8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid

C19H24F3N3O5S — CID 155853425

About 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid

8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid (PubChem CID 155853425) has the molecular formula C19H24F3N3O5S and a molecular weight of 463.48 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
• PubChem CID: 155853425
• Molecular Formula: C19H24F3N3O5S
• Molecular Weight: 463.48 g/mol
• Exact Mass: 463.14
• IUPAC Name: 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1Cc1cccnc1
• InChI: InChI=1S/C17H23N3O3S.C2HF3O2/c21-16-10-17(13-19(16)12-14-2-1-7-18-11-14)5-8-20(9-6-17)24(22,23)15-3-4-15;3-2(4,5)1(6)7/h1-2,7,11,15H,3-6,8-10,12-13H2;(H,6,7)
• InChIKey: OWDKBTGVOCJAJO-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 107.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.48
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?

The IUPAC name of 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid (CID 155853425) is 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?

The canonical SMILES for 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1Cc1cccnc1.

What is the InChIKey of 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?

The InChIKey is OWDKBTGVOCJAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S.C2HF3O2/c21-16-10-17(13-19(16)12-14-2-1-7-18-11-14)5-8-20(9-6-17)24(22,23)15-3-4-15;3-2(4,5)1(6)7/h1-2,7,11,15H,3-6,8-10,12-13H2;(H,6,7).

What are the key properties of 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?

8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 463.48 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155853425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).