N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide

C9H15F3N2O2S — CID 166150999

IUPACN-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCC2(CC1)CNC2)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c10-9(11,12)17(15,16)14-7-1-3-8(4-2-7)5-13-6-8/h7,13-14H,1-6H2
InChIKeyGEBVKIURJHPDJX-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.96
Rot. Bonds2

About N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide

N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 166150999) has the molecular formula C9H15F3N2O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID166150999
Molecular FormulaC9H15F3N2O2S
Molecular Weight272.29 g/mol
Exact Mass272.08
IUPAC NameN-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCC2(CC1)CNC2)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c10-9(11,12)17(15,16)14-7-1-3-8(4-2-7)5-13-6-8/h7,13-14H,1-6H2
InChIKeyGEBVKIURJHPDJX-UHFFFAOYSA-N
XLogP0.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide;hydrochloride
CID 166150628
1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
CID 166150629
N-(2-azaspiro[3.5]nonan-7-yl)-4,4-difluorocyclohexane-1-sulfonamide
CID 169751121
1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
CID 175831597
N-(2-azaspiro[3.5]nonan-7-yl)methanesulfonamide
CID 166150958
N-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanesulfonamide
CID 167204920
7-(Sulfamoylamino)-2-azaspiro[3.5]nonane
CID 175831490

Frequently Asked Questions

What is the IUPAC name of N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide (CID 166150999) is N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CCC2(CC1)CNC2)C(F)(F)F.
What is the InChIKey of N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GEBVKIURJHPDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2S/c10-9(11,12)17(15,16)14-7-1-3-8(4-2-7)5-13-6-8/h7,13-14H,1-6H2.
What are the key properties of N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide?
N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 272.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azaspiro[3.5]nonan-7-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 166150999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).