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

C10H16F3N3O3S — CID 175933003

IUPAC7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](F)NC(=O)N1CC(NS(=O)(=O)C(F)F)C2(CC2)C1
InChIInChI=1S/C10H16F3N3O3S/c1-6(11)14-9(17)16-4-7(10(5-16)2-3-10)15-20(18,19)8(12)13/h6-8,15H,2-5H2,1H3,(H,14,17)/t6-,7?/m1/s1
InChIKeyAXOWMYSVNREDAM-ULUSZKPHSA-N
MW315.32 g/mol
LogP0.62
Rot. Bonds4

About 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide

7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 175933003) has the molecular formula C10H16F3N3O3S and a molecular weight of 315.32 g/mol. Its IUPAC name is 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound Name7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID175933003
Molecular FormulaC10H16F3N3O3S
Molecular Weight315.32 g/mol
Exact Mass315.09
IUPAC Name7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](F)NC(=O)N1CC(NS(=O)(=O)C(F)F)C2(CC2)C1
InChIInChI=1S/C10H16F3N3O3S/c1-6(11)14-9(17)16-4-7(10(5-16)2-3-10)15-20(18,19)8(12)13/h6-8,15H,2-5H2,1H3,(H,14,17)/t6-,7?/m1/s1
InChIKeyAXOWMYSVNREDAM-ULUSZKPHSA-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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Related Compounds

4-(difluoromethyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]piperidine-1-carboxamide
CID 127651099
2-(Fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036637
2-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036644
2-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036746
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
(7S)-N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 170194154
(7S)-7-(difluoromethylsulfonylamino)-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170194159
N-[(1-fluorocyclopropyl)methyl]-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 175925501
7-(fluoromethylsulfonylamino)-N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 175932948
N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 175932965
1-[(1-Methylsulfonylpiperidin-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 56280170

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide (CID 175933003) is 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide is C[C@H](F)NC(=O)N1CC(NS(=O)(=O)C(F)F)C2(CC2)C1.
What is the InChIKey of 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is AXOWMYSVNREDAM-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H16F3N3O3S/c1-6(11)14-9(17)16-4-7(10(5-16)2-3-10)15-20(18,19)8(12)13/h6-8,15H,2-5H2,1H3,(H,14,17)/t6-,7?/m1/s1.
What are the key properties of 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
7-(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 7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 175933003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).