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

C8H13FN2O4S — CID 175698194

IUPAC7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid
SMILESO=C(O)N1CC(NS(=O)(=O)CF)C2(CC2)C1
InChIInChI=1S/C8H13FN2O4S/c9-5-16(14,15)10-6-3-11(7(12)13)4-8(6)1-2-8/h6,10H,1-5H2,(H,12,13)
InChIKeySCFNVMADKRNDNY-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.02
Rot. Bonds3

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

7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid (PubChem CID 175698194) has the molecular formula C8H13FN2O4S and a molecular weight of 252.27 g/mol. Its IUPAC name is 7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid.

Molecular Properties

Compound Name7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid
PubChem CID175698194
Molecular FormulaC8H13FN2O4S
Molecular Weight252.27 g/mol
Exact Mass252.06
IUPAC Name7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid
SMILESO=C(O)N1CC(NS(=O)(=O)CF)C2(CC2)C1
InChIInChI=1S/C8H13FN2O4S/c9-5-16(14,15)10-6-3-11(7(12)13)4-8(6)1-2-8/h6,10H,1-5H2,(H,12,13)
InChIKeySCFNVMADKRNDNY-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The IUPAC name of 7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid (CID 175698194) is 7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid.
What is the SMILES notation for 7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The canonical SMILES for 7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid is O=C(O)N1CC(NS(=O)(=O)CF)C2(CC2)C1.
What is the InChIKey of 7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The InChIKey is SCFNVMADKRNDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O4S/c9-5-16(14,15)10-6-3-11(7(12)13)4-8(6)1-2-8/h6,10H,1-5H2,(H,12,13).
What are the key properties of 7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid?
7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid is sourced from PubChem (CID 175698194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).