2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid

C7H13F3N2O4S — CID 175947656

IUPAC2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CCC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2S.C2HF3O2/c6-10(8,9)2-1-5-3-7-4-5;3-2(4,5)1(6)7/h5,7H,1-4H2,(H2,6,8,9);(H,6,7)
InChIKeyRMEQNOTUMSCRGS-UHFFFAOYSA-N
MW278.25 g/mol
LogP-0.48
Rot. Bonds3

About 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid

2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175947656) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175947656
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC Name2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)CCC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2S.C2HF3O2/c6-10(8,9)2-1-5-3-7-4-5;3-2(4,5)1(6)7/h5,7H,1-4H2,(H2,6,8,9);(H,6,7)
InChIKeyRMEQNOTUMSCRGS-UHFFFAOYSA-N
XLogP-0.48
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

3-(Azetidin-3-yl)-1lambda6-thietane-1,1-dione; trifluoroacetic acid
CID 121552742
(Azetidin-2-yl)methanesulfonamide; trifluoroacetic acid
CID 165945994
1,1-dioxido-1-thia-6-azaspiro[3.3]heptane TFA salt
CID 90015189
2-(Azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid
CID 138689974
3-((Methylsulfonyl)methyl)azetidine tfa
CID 154814193
3-[2-(Sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727596
3-(Azetidin-3-yl)propane-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175727654
N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727663
2-Azaspiro[3.3]heptan-6-ylmethanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727730
[2-(Azetidin-3-yl)ethylamino]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727744
(3-Hydroxyazetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175729139
[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175947905

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid (CID 175947656) is 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)CCC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is RMEQNOTUMSCRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.C2HF3O2/c6-10(8,9)2-1-5-3-7-4-5;3-2(4,5)1(6)7/h5,7H,1-4H2,(H2,6,8,9);(H,6,7).
What are the key properties of 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid?
2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 278.25 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)ethanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175947656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).