N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide

C12H21F2N3O3S — CID 175932965

IUPACN-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCC(C)(F)CNC(=O)N1CC(NS(=O)(=O)CF)C2(CC2)C1
InChIInChI=1S/C12H21F2N3O3S/c1-11(2,14)6-15-10(18)17-5-9(12(7-17)3-4-12)16-21(19,20)8-13/h9,16H,3-8H2,1-2H3,(H,15,18)
InChIKeySTTGPJWTUUPGFI-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.75
Rot. Bonds5

About N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide

N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 175932965) has the molecular formula C12H21F2N3O3S and a molecular weight of 325.38 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID175932965
Molecular FormulaC12H21F2N3O3S
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC NameN-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCC(C)(F)CNC(=O)N1CC(NS(=O)(=O)CF)C2(CC2)C1
InChIInChI=1S/C12H21F2N3O3S/c1-11(2,14)6-15-10(18)17-5-9(12(7-17)3-4-12)16-21(19,20)8-13/h9,16H,3-8H2,1-2H3,(H,15,18)
InChIKeySTTGPJWTUUPGFI-UHFFFAOYSA-N
XLogP0.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
(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
7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 175933003
1-[(1-Methylsulfonylpiperidin-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 56280170
N-(1-methylsulfonylpiperidin-3-yl)-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
CID 86966979

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide (CID 175932965) is N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide is CC(C)(F)CNC(=O)N1CC(NS(=O)(=O)CF)C2(CC2)C1.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is STTGPJWTUUPGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O3S/c1-11(2,14)6-15-10(18)17-5-9(12(7-17)3-4-12)16-21(19,20)8-13/h9,16H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide?
N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-7-(fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 175932965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).