[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

C7H13F3N2O4S — CID 175947905

IUPAC[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESC[C@H]1NC[C@@H]1CS(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2S.C2HF3O2/c1-4-5(2-7-4)3-10(6,8)9;3-2(4,5)1(6)7/h4-5,7H,2-3H2,1H3,(H2,6,8,9);(H,6,7)/t4-,5-;/m1./s1
InChIKeyDFZPXYSFFPXVSO-TYSVMGFPSA-N
MW278.25 g/mol
LogP-0.48
Rot. Bonds2

About [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid

[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175947905) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175947905
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC Name[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESC[C@H]1NC[C@@H]1CS(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2S.C2HF3O2/c1-4-5(2-7-4)3-10(6,8)9;3-2(4,5)1(6)7/h4-5,7H,2-3H2,1H3,(H2,6,8,9);(H,6,7)/t4-,5-;/m1./s1
InChIKeyDFZPXYSFFPXVSO-TYSVMGFPSA-N
XLogP-0.48
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 175947905) is [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is C[C@H]1NC[C@@H]1CS(N)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is DFZPXYSFFPXVSO-TYSVMGFPSA-N. The full InChI is InChI=1S/C5H12N2O2S.C2HF3O2/c1-4-5(2-7-4)3-10(6,8)9;3-2(4,5)1(6)7/h4-5,7H,2-3H2,1H3,(H2,6,8,9);(H,6,7)/t4-,5-;/m1./s1.
What are the key properties of [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid?
[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 278.25 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175947905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).