2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid

C9H15F3N2O4S — CID 175727730

IUPAC2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CC1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2S.C2HF3O2/c8-12(10,11)3-6-1-7(2-6)4-9-5-7;3-2(4,5)1(6)7/h6,9H,1-5H2,(H2,8,10,11);(H,6,7)
InChIKeyJPKFURLVTQGMJI-UHFFFAOYSA-N
MW304.29 g/mol
LogP-0.09
Rot. Bonds2

About 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid

2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175727730) has the molecular formula C9H15F3N2O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175727730
Molecular FormulaC9H15F3N2O4S
Molecular Weight304.29 g/mol
Exact Mass304.07
IUPAC Name2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CC1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2S.C2HF3O2/c8-12(10,11)3-6-1-7(2-6)4-9-5-7;3-2(4,5)1(6)7/h6,9H,1-5H2,(H2,8,10,11);(H,6,7)
InChIKeyJPKFURLVTQGMJI-UHFFFAOYSA-N
XLogP-0.09
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;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 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid (CID 175727730) is 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)CC1CC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is JPKFURLVTQGMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S.C2HF3O2/c8-12(10,11)3-6-1-7(2-6)4-9-5-7;3-2(4,5)1(6)7/h6,9H,1-5H2,(H2,8,10,11);(H,6,7).
What are the key properties of 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid?
2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 304.29 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175727730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).