2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide

C10H16F3N3O3S — CID 169036644

IUPAC2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](F)NC(=O)N1CCC2(CC2NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C10H16F3N3O3S/c1-6(11)14-9(17)16-3-2-10(5-16)4-7(10)15-20(18,19)8(12)13/h6-8,15H,2-5H2,1H3,(H,14,17)/t6-,7?,10?/m1/s1
InChIKeyYTAXZPXBDVJGKV-AFKSGGFBSA-N
MW315.32 g/mol
LogP0.62
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide

2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 169036644) has the molecular formula C10H16F3N3O3S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID169036644
Molecular FormulaC10H16F3N3O3S
Molecular Weight315.32 g/mol
Exact Mass315.09
IUPAC Name2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](F)NC(=O)N1CCC2(CC2NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C10H16F3N3O3S/c1-6(11)14-9(17)16-3-2-10(5-16)4-7(10)15-20(18,19)8(12)13/h6-8,15H,2-5H2,1H3,(H,14,17)/t6-,7?,10?/m1/s1
InChIKeyYTAXZPXBDVJGKV-AFKSGGFBSA-N
XLogP0.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide (CID 169036644) is 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide is C[C@H](F)NC(=O)N1CCC2(CC2NS(=O)(=O)C(F)F)C1.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is YTAXZPXBDVJGKV-AFKSGGFBSA-N. The full InChI is InChI=1S/C10H16F3N3O3S/c1-6(11)14-9(17)16-3-2-10(5-16)4-7(10)15-20(18,19)8(12)13/h6-8,15H,2-5H2,1H3,(H,14,17)/t6-,7?,10?/m1/s1.
What are the key properties of 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 169036644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).