N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide

C6H10F2N2O2S — CID 43597444

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1C2CNCC21)C(F)F
InChIInChI=1S/C6H10F2N2O2S/c7-6(8)13(11,12)10-5-3-1-9-2-4(3)5/h3-6,9-10H,1-2H2
InChIKeyXRVBZIQVWGFNBC-UHFFFAOYSA-N
MW212.22 g/mol
LogP-0.65
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide (PubChem CID 43597444) has the molecular formula C6H10F2N2O2S and a molecular weight of 212.22 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide
PubChem CID43597444
Molecular FormulaC6H10F2N2O2S
Molecular Weight212.22 g/mol
Exact Mass212.04
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1C2CNCC21)C(F)F
InChIInChI=1S/C6H10F2N2O2S/c7-6(8)13(11,12)10-5-3-1-9-2-4(3)5/h3-6,9-10H,1-2H2
InChIKeyXRVBZIQVWGFNBC-UHFFFAOYSA-N
XLogP-0.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide (CID 43597444) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide is O=S(=O)(NC1C2CNCC21)C(F)F.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is XRVBZIQVWGFNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O2S/c7-6(8)13(11,12)10-5-3-1-9-2-4(3)5/h3-6,9-10H,1-2H2.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 212.22 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43597444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).