1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide

C10H15F3N2O3S — CID 170194122

IUPAC1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
SMILESC[C@@H](F)C(=O)N1C[C@@H](NS(=O)(=O)C(F)F)C2(CC2)C1
InChIInChI=1S/C10H15F3N2O3S/c1-6(11)8(16)15-4-7(10(5-15)2-3-10)14-19(17,18)9(12)13/h6-7,9,14H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyVZERNVKMUVOIAJ-RNFRBKRXSA-N
MW300.30 g/mol
LogP0.48
Rot. Bonds4

About 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide

1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide (PubChem CID 170194122) has the molecular formula C10H15F3N2O3S and a molecular weight of 300.30 g/mol. Its IUPAC name is 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
PubChem CID170194122
Molecular FormulaC10H15F3N2O3S
Molecular Weight300.30 g/mol
Exact Mass300.08
IUPAC Name1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
SMILESC[C@@H](F)C(=O)N1C[C@@H](NS(=O)(=O)C(F)F)C2(CC2)C1
InChIInChI=1S/C10H15F3N2O3S/c1-6(11)8(16)15-4-7(10(5-15)2-3-10)14-19(17,18)9(12)13/h6-7,9,14H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyVZERNVKMUVOIAJ-RNFRBKRXSA-N
XLogP0.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(Fluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxamide
CID 169772902
7-(Difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylic acid
CID 175698177
7-(difluoromethylsulfonylamino)-N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 175933003
Tert-butyl 7-(difluoromethylsulfonylamino)-5-azaspiro[2.4]heptane-5-carboxylate
CID 176154786
N-[(3R*,4S*)-4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinyl]methanesulfonamide
CID 72878479
N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 133109514
N-[1-(3,3,3-trifluoropropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 136526294
N-[1-oxo-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]methanesulfonamide
CID 138016808
N-[4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 156605337
N-[1-[2-(aminomethyl)-2-ethylbutanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 120006730

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide (CID 170194122) is 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide is C[C@@H](F)C(=O)N1C[C@@H](NS(=O)(=O)C(F)F)C2(CC2)C1.
What is the InChIKey of 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide?
The InChIKey is VZERNVKMUVOIAJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H15F3N2O3S/c1-6(11)8(16)15-4-7(10(5-15)2-3-10)14-19(17,18)9(12)13/h6-7,9,14H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide?
1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide has a molecular weight of 300.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(7S)-5-[(2R)-2-fluoropropanoyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide is sourced from PubChem (CID 170194122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).