1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide

C8H13F2NO2S — CID 176666116

IUPAC1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC12CC2)C(F)F
InChIInChI=1S/C8H13F2NO2S/c9-7(10)14(12,13)11-6-2-1-3-8(6)4-5-8/h6-7,11H,1-5H2/t6-/m0/s1
InChIKeyJGXJHPSCCKHERI-LURJTMIESA-N
MW225.26 g/mol
LogP1.46
Rot. Bonds3

About 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide

1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide (PubChem CID 176666116) has the molecular formula C8H13F2NO2S and a molecular weight of 225.26 g/mol. Its IUPAC name is 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide
PubChem CID176666116
Molecular FormulaC8H13F2NO2S
Molecular Weight225.26 g/mol
Exact Mass225.06
IUPAC Name1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC12CC2)C(F)F
InChIInChI=1S/C8H13F2NO2S/c9-7(10)14(12,13)11-6-2-1-3-8(6)4-5-8/h6-7,11H,1-5H2/t6-/m0/s1
InChIKeyJGXJHPSCCKHERI-LURJTMIESA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide
CID 114545440
N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide
CID 115881053

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide (CID 176666116) is 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide is O=S(=O)(N[C@H]1CCCC12CC2)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide?
The InChIKey is JGXJHPSCCKHERI-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F2NO2S/c9-7(10)14(12,13)11-6-2-1-3-8(6)4-5-8/h6-7,11H,1-5H2/t6-/m0/s1.
What are the key properties of 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide?
1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide has a molecular weight of 225.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide is sourced from PubChem (CID 176666116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).