2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide

C7H11F3N2O2S — CID 156757472

IUPAC2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC2(F)F)C(F)C1
InChIInChI=1S/C7H11F3N2O2S/c8-5-3-12(15(11,13)14)2-1-6(5)4-7(6,9)10/h5H,1-4H2,(H2,11,13,14)
InChIKeyDZVOMSAZMWXMAA-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.26
Rot. Bonds1

About 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide

2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 156757472) has the molecular formula C7H11F3N2O2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID156757472
Molecular FormulaC7H11F3N2O2S
Molecular Weight244.24 g/mol
Exact Mass244.05
IUPAC Name2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC2(F)F)C(F)C1
InChIInChI=1S/C7H11F3N2O2S/c8-5-3-12(15(11,13)14)2-1-6(5)4-7(6,9)10/h5H,1-4H2,(H2,11,13,14)
InChIKeyDZVOMSAZMWXMAA-UHFFFAOYSA-N
XLogP0.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide (CID 156757472) is 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC2(F)F)C(F)C1.
What is the InChIKey of 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is DZVOMSAZMWXMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2S/c8-5-3-12(15(11,13)14)2-1-6(5)4-7(6,9)10/h5H,1-4H2,(H2,11,13,14).
What are the key properties of 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide?
2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 244.24 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 156757472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).