N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide

C11H19F3N2O2S — CID 43598115

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCCCC2)C1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2S/c12-11(13,14)19(17,18)16-9-4-7-15-10(8-9)5-2-1-3-6-10/h9,15-16H,1-8H2
InChIKeyKCJFLDQLESNPHE-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.88
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide

N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 43598115) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID43598115
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCCCC2)C1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2S/c12-11(13,14)19(17,18)16-9-4-7-15-10(8-9)5-2-1-3-6-10/h9,15-16H,1-8H2
InChIKeyKCJFLDQLESNPHE-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,4-difluoro-6-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343595
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
4-(3-Piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide
CID 162622253
4-[Sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine
CID 167049330
4-[(4,4-Difluorocyclohexyl)methyl-sulfamoylamino]piperidine
CID 167049362
1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
CID 43523458
N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide
CID 43597947
N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide
CID 43597961
N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
CID 43598118

Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide (CID 43598115) is N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CCNC2(CCCCC2)C1)C(F)(F)F.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is KCJFLDQLESNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c12-11(13,14)19(17,18)16-9-4-7-15-10(8-9)5-2-1-3-6-10/h9,15-16H,1-8H2.
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 300.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 43598115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).