N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

C14H25F3N2O5S — CID 155841480

About N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155841480) has the molecular formula C14H25F3N2O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155841480
• Molecular Formula: C14H25F3N2O5S
• Molecular Weight: 390.42 g/mol
• Exact Mass: 390.14
• IUPAC Name: N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C12H24N2O3S.C2HF3O2/c1-10(2)14-6-5-12(9-14)8-11(4-7-17-12)13-18(3,15)16;3-2(4,5)1(6)7/h10-11,13H,4-9H2,1-3H3;(H,6,7)/t11-,12+;/m0./s1
• InChIKey: OPQGIAFDOVCMRO-ZVWHLABXSA-N
• XLogP: 1.20
• TPSA: 95.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.42
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155841480) is N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is CC(C)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is OPQGIAFDOVCMRO-ZVWHLABXSA-N. The full InChI is InChI=1S/C12H24N2O3S.C2HF3O2/c1-10(2)14-6-5-12(9-14)8-11(4-7-17-12)13-18(3,15)16;3-2(4,5)1(6)7/h10-11,13H,4-9H2,1-3H3;(H,6,7)/t11-,12+;/m0./s1.

What are the key properties of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?

N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 390.42 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155841480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).