2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide

C8H14F2N2O2S — CID 172732717

IUPAC2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCC1CC2(CCN1S(N)(=O)=O)CC2(F)F
InChIInChI=1S/C8H14F2N2O2S/c1-6-4-7(5-8(7,9)10)2-3-12(6)15(11,13)14/h6H,2-5H2,1H3,(H2,11,13,14)
InChIKeyHZZLMFKRJNSSHH-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.70
Rot. Bonds1

About 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide

2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 172732717) has the molecular formula C8H14F2N2O2S and a molecular weight of 240.27 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID172732717
Molecular FormulaC8H14F2N2O2S
Molecular Weight240.27 g/mol
Exact Mass240.07
IUPAC Name2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCC1CC2(CCN1S(N)(=O)=O)CC2(F)F
InChIInChI=1S/C8H14F2N2O2S/c1-6-4-7(5-8(7,9)10)2-3-12(6)15(11,13)14/h6H,2-5H2,1H3,(H2,11,13,14)
InChIKeyHZZLMFKRJNSSHH-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 134821823
4-Methyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 156050301
1,2-Difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 156133180
1-Tert-butyl-2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide
CID 156147912
2,2,4-Trifluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 156757472
1,1-Difluoro-5-azaspiro[2.5]octane-5-sulfonamide
CID 134821824
1,1-Difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride
CID 135564414
(7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide
CID 162544180

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide (CID 172732717) is 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide is CC1CC2(CCN1S(N)(=O)=O)CC2(F)F.
What is the InChIKey of 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is HZZLMFKRJNSSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2S/c1-6-4-7(5-8(7,9)10)2-3-12(6)15(11,13)14/h6H,2-5H2,1H3,(H2,11,13,14).
What are the key properties of 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide?
2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 240.27 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 172732717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).