(3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid

C6H11F3N2O5S — CID 175729139

IUPAC(3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CC1(O)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O3S.C2HF3O2/c5-10(8,9)3-4(7)1-6-2-4;3-2(4,5)1(6)7/h6-7H,1-3H2,(H2,5,8,9);(H,6,7)
InChIKeyKGMMEFXEPIKFBY-UHFFFAOYSA-N
MW280.22 g/mol
LogP-1.76
Rot. Bonds2

About (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid

(3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175729139) has the molecular formula C6H11F3N2O5S and a molecular weight of 280.22 g/mol. Its IUPAC name is (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175729139
Molecular FormulaC6H11F3N2O5S
Molecular Weight280.22 g/mol
Exact Mass280.03
IUPAC Name(3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CC1(O)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O3S.C2HF3O2/c5-10(8,9)3-4(7)1-6-2-4;3-2(4,5)1(6)7/h6-7H,1-3H2,(H2,5,8,9);(H,6,7)
InChIKeyKGMMEFXEPIKFBY-UHFFFAOYSA-N
XLogP-1.76
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid (CID 175729139) is (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)CC1(O)CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is KGMMEFXEPIKFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S.C2HF3O2/c5-10(8,9)3-4(7)1-6-2-4;3-2(4,5)1(6)7/h6-7H,1-3H2,(H2,5,8,9);(H,6,7).
What are the key properties of (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid?
(3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 280.22 g/mol, XLogP of -1.76, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175729139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).