N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide

C9H15F3N2O3S — CID 58468807

IUPACN-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)C(=O)N1CC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O3S/c1-8(2,3)7(15)14-4-6(5-14)13-18(16,17)9(10,11)12/h6,13H,4-5H2,1-3H3
InChIKeyYFOJNJPFGFSZCL-UHFFFAOYSA-N
MW288.29 g/mol
LogP0.68
Rot. Bonds2

About N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide

N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 58468807) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID58468807
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC NameN-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)C(=O)N1CC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O3S/c1-8(2,3)7(15)14-4-6(5-14)13-18(16,17)9(10,11)12/h6,13H,4-5H2,1-3H3
InChIKeyYFOJNJPFGFSZCL-UHFFFAOYSA-N
XLogP0.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide (CID 58468807) is N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide is CC(C)(C)C(=O)N1CC(NS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is YFOJNJPFGFSZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-8(2,3)7(15)14-4-6(5-14)13-18(16,17)9(10,11)12/h6,13H,4-5H2,1-3H3.
What are the key properties of N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide?
N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 288.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 58468807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).