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

C6H9F3N2O2S — CID 43597418

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1C2CNCC21)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2S/c7-6(8,9)14(12,13)11-5-3-1-10-2-4(3)5/h3-5,10-11H,1-2H2
InChIKeyZSDZNZGFYNTXHX-UHFFFAOYSA-N
MW230.21 g/mol
LogP-0.36
Rot. Bonds2

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

N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 43597418) has the molecular formula C6H9F3N2O2S and a molecular weight of 230.21 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID43597418
Molecular FormulaC6H9F3N2O2S
Molecular Weight230.21 g/mol
Exact Mass230.03
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1C2CNCC21)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2S/c7-6(8,9)14(12,13)11-5-3-1-10-2-4(3)5/h3-5,10-11H,1-2H2
InChIKeyZSDZNZGFYNTXHX-UHFFFAOYSA-N
XLogP-0.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 5-0.36
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)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide (CID 43597418) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1C2CNCC21)C(F)(F)F.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ZSDZNZGFYNTXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2S/c7-6(8,9)14(12,13)11-5-3-1-10-2-4(3)5/h3-5,10-11H,1-2H2.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 230.21 g/mol, XLogP of -0.36, 2 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)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 43597418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).