7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid

C8H12F2N2O4S — CID 175698177

IUPAC7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid
SMILESO=C(O)N1CC(NS(=O)(=O)C(F)F)C2(CC2)C1
InChIInChI=1S/C8H12F2N2O4S/c9-6(10)17(15,16)11-5-3-12(7(13)14)4-8(5)1-2-8/h5-6,11H,1-4H2,(H,13,14)
InChIKeyAQRKXRAFBZSBSA-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.27
Rot. Bonds3

About 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid

7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid (PubChem CID 175698177) has the molecular formula C8H12F2N2O4S and a molecular weight of 270.26 g/mol. Its IUPAC name is 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid.

Molecular Properties

Compound Name7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid
PubChem CID175698177
Molecular FormulaC8H12F2N2O4S
Molecular Weight270.26 g/mol
Exact Mass270.05
IUPAC Name7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid
SMILESO=C(O)N1CC(NS(=O)(=O)C(F)F)C2(CC2)C1
InChIInChI=1S/C8H12F2N2O4S/c9-6(10)17(15,16)11-5-3-12(7(13)14)4-8(5)1-2-8/h5-6,11H,1-4H2,(H,13,14)
InChIKeyAQRKXRAFBZSBSA-UHFFFAOYSA-N
XLogP0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(Fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 169772902
1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 170194122
7-(Fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid
CID 175698194
Tert-butyl 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylate
CID 176154786
7-(Methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid
CID 175731897

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The IUPAC name of 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid (CID 175698177) is 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid.
What is the SMILES notation for 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The canonical SMILES for 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid is O=C(O)N1CC(NS(=O)(=O)C(F)F)C2(CC2)C1.
What is the InChIKey of 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The InChIKey is AQRKXRAFBZSBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O4S/c9-6(10)17(15,16)11-5-3-12(7(13)14)4-8(5)1-2-8/h5-6,11H,1-4H2,(H,13,14).
What are the key properties of 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid?
7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid is sourced from PubChem (CID 175698177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).