N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide

C7H11F3N2O3S — CID 164729663

IUPACN-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)11-2-5-3-12(4-5)6(13)7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyHMNHELBLOYZWKE-UHFFFAOYSA-N
MW260.24 g/mol
LogP-0.44
Rot. Bonds3

About N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide

N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide (PubChem CID 164729663) has the molecular formula C7H11F3N2O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
PubChem CID164729663
Molecular FormulaC7H11F3N2O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC NameN-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)11-2-5-3-12(4-5)6(13)7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyHMNHELBLOYZWKE-UHFFFAOYSA-N
XLogP-0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide (CID 164729663) is N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide?
The InChIKey is HMNHELBLOYZWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3S/c1-16(14,15)11-2-5-3-12(4-5)6(13)7(8,9)10/h5,11H,2-4H2,1H3.
What are the key properties of N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide?
N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide has a molecular weight of 260.24 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 164729663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).