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

C13H23F3N2O5S — CID 155830811

IUPACN-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O3S.C2HF3O2/c1-13-7-6-11(9-13)5-3-4-10(16-11)8-12-17(2,14)15;3-2(4,5)1(6)7/h10,12H,3-9H2,1-2H3;(H,6,7)/t10-,11+;/m0./s1
InChIKeyDKVLCSKFVGEORQ-VZXYPILPSA-N
MW376.40 g/mol
LogP0.81
Rot. Bonds3

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

N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155830811) has the molecular formula C13H23F3N2O5S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155830811
Molecular FormulaC13H23F3N2O5S
Molecular Weight376.40 g/mol
Exact Mass376.13
IUPAC NameN-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O3S.C2HF3O2/c1-13-7-6-11(9-13)5-3-4-10(16-11)8-12-17(2,14)15;3-2(4,5)1(6)7/h10,12H,3-9H2,1-2H3;(H,6,7)/t10-,11+;/m0./s1
InChIKeyDKVLCSKFVGEORQ-VZXYPILPSA-N
XLogP0.81
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155830811) is N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is CN1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is DKVLCSKFVGEORQ-VZXYPILPSA-N. The full InChI is InChI=1S/C11H22N2O3S.C2HF3O2/c1-13-7-6-11(9-13)5-3-4-10(16-11)8-12-17(2,14)15;3-2(4,5)1(6)7/h10,12H,3-9H2,1-2H3;(H,6,7)/t10-,11+;/m0./s1.
What are the key properties of N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 376.40 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).