2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide

C8H14FN3O3S — CID 169036637

IUPAC2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESNC(=O)N1CCC2(CC2NS(=O)(=O)CF)C1
InChIInChI=1S/C8H14FN3O3S/c9-5-16(14,15)11-6-3-8(6)1-2-12(4-8)7(10)13/h6,11H,1-5H2,(H2,10,13)
InChIKeyOKVNKUJIVRGLGB-UHFFFAOYSA-N
MW251.28 g/mol
LogP-0.62
Rot. Bonds3

About 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide

2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 169036637) has the molecular formula C8H14FN3O3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound Name2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID169036637
Molecular FormulaC8H14FN3O3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESNC(=O)N1CCC2(CC2NS(=O)(=O)CF)C1
InChIInChI=1S/C8H14FN3O3S/c9-5-16(14,15)11-6-3-8(6)1-2-12(4-8)7(10)13/h6,11H,1-5H2,(H2,10,13)
InChIKeyOKVNKUJIVRGLGB-UHFFFAOYSA-N
XLogP-0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide (CID 169036637) is 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide is NC(=O)N1CCC2(CC2NS(=O)(=O)CF)C1.
What is the InChIKey of 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is OKVNKUJIVRGLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O3S/c9-5-16(14,15)11-6-3-8(6)1-2-12(4-8)7(10)13/h6,11H,1-5H2,(H2,10,13).
What are the key properties of 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide?
2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 251.28 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 169036637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).