N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

C₁₇H₂₉F₃N₂O₅S — CID 155830159

About N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155830159) has the molecular formula C₁₇H₂₉F₃N₂O₅S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155830159
• Molecular Formula: C₁₇H₂₉F₃N₂O₅S
• Molecular Weight: 430.49 g/mol
• Exact Mass: 430.17
• IUPAC Name: N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)N1CC[C@]2(CCC[C@@H](CNS(=O)(=O)C3CC3)O2)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C15H28N2O3S.C2HF3O2/c1-12(2)17-9-8-15(11-17)7-3-4-13(20-15)10-16-21(18,19)14-5-6-14;3-2(4,5)1(6)7/h12-14,16H,3-11H2,1-2H3;(H,6,7)/t13-,15+;/m0./s1
• InChIKey: VDSLNNQNLNVCDO-NQQJLSKUSA-N
• XLogP: 2.12
• TPSA: 95.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.49
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 155830159) is N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is CC(C)N1CC[C@]2(CCC[C@@H](CNS(=O)(=O)C3CC3)O2)C1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is VDSLNNQNLNVCDO-NQQJLSKUSA-N. The full InChI is InChI=1S/C15H28N2O3S.C2HF3O2/c1-12(2)17-9-8-15(11-17)7-3-4-13(20-15)10-16-21(18,19)14-5-6-14;3-2(4,5)1(6)7/h12-14,16H,3-11H2,1-2H3;(H,6,7)/t13-,15+;/m0./s1.

What are the key properties of N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?

N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 430.49 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155830159 — identifiers, structure, computed properties (public domain)

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