3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

C5H10F3N3O4S — CID 170914224

IUPAC3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNC1CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9N3O2S.C2HF3O2/c4-3-1-6(2-3)9(5,7)8;3-2(4,5)1(6)7/h3H,1-2,4H2,(H2,5,7,8);(H,6,7)
InChIKeyXUTZLMCLKGPGSL-UHFFFAOYSA-N
MW265.21 g/mol
LogP-1.53
Rot. Bonds1

About 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 170914224) has the molecular formula C5H10F3N3O4S and a molecular weight of 265.21 g/mol. Its IUPAC name is 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID170914224
Molecular FormulaC5H10F3N3O4S
Molecular Weight265.21 g/mol
Exact Mass265.03
IUPAC Name3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNC1CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9N3O2S.C2HF3O2/c4-3-1-6(2-3)9(5,7)8;3-2(4,5)1(6)7/h3H,1-2,4H2,(H2,5,7,8);(H,6,7)
InChIKeyXUTZLMCLKGPGSL-UHFFFAOYSA-N
XLogP-1.53
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Azetidin-3-amine; bis(trifluoroacetic acid)
CID 137838504
[(Azetidin-3-yl)sulfamoyl]dimethylamine; trifluoroacetic acid
CID 138990998
3-Aminoazetidine-1-sulfonyl fluoride; trifluoroacetic acid
CID 154814291
N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 89477775
N-(azetidin-3-yl)-N-methylmethanesulfonamide; trifluoroacetic acid
CID 118497506
2-(Azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid
CID 138689974
Azetidin-3-amine; trifluoroacetic acid
CID 161304816
Azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175428876
N-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 176057310
N-(azetidin-3-yl)methanesulfonamide;2,2,2-trifluoroacetic acid
CID 176057317
N-[(2R,3R)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 176057319
1-Ethylsulfonylazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 177704730

Frequently Asked Questions

What is the IUPAC name of 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 170914224) is 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is NC1CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is XUTZLMCLKGPGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2S.C2HF3O2/c4-3-1-6(2-3)9(5,7)8;3-2(4,5)1(6)7/h3H,1-2,4H2,(H2,5,7,8);(H,6,7).
What are the key properties of 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 265.21 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170914224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).