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

C11H20F2N2O2S — CID 43598118

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCCCC2)C1)C(F)F
InChIInChI=1S/C11H20F2N2O2S/c12-10(13)18(16,17)15-9-4-7-14-11(8-9)5-2-1-3-6-11/h9-10,14-15H,1-8H2
InChIKeyCIGWGTSCOZKLSP-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.58
Rot. Bonds3

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

N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide (PubChem CID 43598118) has the molecular formula C11H20F2N2O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
PubChem CID43598118
Molecular FormulaC11H20F2N2O2S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCCCC2)C1)C(F)F
InChIInChI=1S/C11H20F2N2O2S/c12-10(13)18(16,17)15-9-4-7-14-11(8-9)5-2-1-3-6-11/h9-10,14-15H,1-8H2
InChIKeyCIGWGTSCOZKLSP-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide
CID 43597961
2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid
CID 61457776
N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide
CID 63688997
N-(propylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine
CID 114810365
N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide
CID 43598110
N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246959
ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
CID 61457574
N-(propylsulfamoyl)-5-azaspiro[3.5]nonan-8-amine
CID 114810353
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluorobenzenesulfonamide
CID 43597983
N-(5-azaspiro[3.5]nonan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310321
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685509
N-(5-azaspiro[3.5]nonan-8-yl)-3-methylpiperidine-1-sulfonamide
CID 43597934

Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide (CID 43598118) is N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CCNC2(CCCCC2)C1)C(F)F.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is CIGWGTSCOZKLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2S/c12-10(13)18(16,17)15-9-4-7-14-11(8-9)5-2-1-3-6-11/h9-10,14-15H,1-8H2.
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide?
N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.58, 3 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-difluoromethanesulfonamide is sourced from PubChem (CID 43598118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).