N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide

C9H15F3N2O2S — CID 43597947

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCC2)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c10-9(11,12)17(15,16)14-7-2-5-13-8(6-7)3-1-4-8/h7,13-14H,1-6H2
InChIKeyJEQHXPLJAWDVRW-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.10
Rot. Bonds2

About N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide

N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 43597947) has the molecular formula C9H15F3N2O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID43597947
Molecular FormulaC9H15F3N2O2S
Molecular Weight272.29 g/mol
Exact Mass272.08
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCC2)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c10-9(11,12)17(15,16)14-7-2-5-13-8(6-7)3-1-4-8/h7,13-14H,1-6H2
InChIKeyJEQHXPLJAWDVRW-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343599
N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343667
N-((4,4-Difluoro-2,5-dimethylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343963
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane
CID 162066506
1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
CID 43523458
N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide
CID 43597961
N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide
CID 43598115
N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
CID 43598118
1-(Difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
CID 54885427
3-Pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 54885571
3-[1-(Difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine
CID 54885949

Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide (CID 43597947) is N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CCNC2(CCC2)C1)C(F)(F)F.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is JEQHXPLJAWDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2S/c10-9(11,12)17(15,16)14-7-2-5-13-8(6-7)3-1-4-8/h7,13-14H,1-6H2.
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide?
N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 272.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 43597947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).