N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide

C8H14F2N2O2S — CID 61230450

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)C(F)F
InChIInChI=1S/C8H14F2N2O2S/c9-8(10)15(13,14)12-7-3-5-1-2-6(4-7)11-5/h5-8,11-12H,1-4H2
InChIKeyANQSFBFUMSSZIZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.41
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide (PubChem CID 61230450) has the molecular formula C8H14F2N2O2S and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide
PubChem CID61230450
Molecular FormulaC8H14F2N2O2S
Molecular Weight240.27 g/mol
Exact Mass240.07
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)C(F)F
InChIInChI=1S/C8H14F2N2O2S/c9-8(10)15(13,14)12-7-3-5-1-2-6(4-7)11-5/h5-8,11-12H,1-4H2
InChIKeyANQSFBFUMSSZIZ-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide (CID 61230450) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CC2CCC(C1)N2)C(F)F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is ANQSFBFUMSSZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2S/c9-8(10)15(13,14)12-7-3-5-1-2-6(4-7)11-5/h5-8,11-12H,1-4H2.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 240.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61230450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).