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

IUPACN-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CC[C@]2(CCC[C@@H](CNS(=O)(=O)C3CC3)O2)C1.O=C(O)C(F)(F)F
InChIInChI=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
InChIKeyVDSLNNQNLNVCDO-NQQJLSKUSA-N
MW430.49 g/mol
LogP2.12
Rot. Bonds5

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 NameN-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155830159
Molecular FormulaC17H29F3N2O5S
Molecular Weight430.49 g/mol
Exact Mass430.17
IUPAC NameN-[[(5R,7S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CC[C@]2(CCC[C@@H](CNS(=O)(=O)C3CC3)O2)C1.O=C(O)C(F)(F)F
InChIInChI=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
InChIKeyVDSLNNQNLNVCDO-NQQJLSKUSA-N
XLogP2.12
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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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).