3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

C6H12F3N3O4S — CID 167732811

IUPAC3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCC1(N)CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11N3O2S.C2HF3O2/c1-4(5)2-7(3-4)10(6,8)9;3-2(4,5)1(6)7/h2-3,5H2,1H3,(H2,6,8,9);(H,6,7)
InChIKeyZRWXFTROWJSEIJ-UHFFFAOYSA-N
MW279.24 g/mol
LogP-1.14
Rot. Bonds1

About 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 167732811) has the molecular formula C6H12F3N3O4S and a molecular weight of 279.24 g/mol. Its IUPAC name is 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID167732811
Molecular FormulaC6H12F3N3O4S
Molecular Weight279.24 g/mol
Exact Mass279.05
IUPAC Name3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCC1(N)CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11N3O2S.C2HF3O2/c1-4(5)2-7(3-4)10(6,8)9;3-2(4,5)1(6)7/h2-3,5H2,1H3,(H2,6,8,9);(H,6,7)
InChIKeyZRWXFTROWJSEIJ-UHFFFAOYSA-N
XLogP-1.14
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(Azetidin-3-yl)sulfamoyl]dimethylamine; trifluoroacetic acid
CID 138990998
3-Aminoazetidine-1-sulfonamide, trifluoroacetic acid
CID 170914224
3-Methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890535

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 167732811) is 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is CC1(N)CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZRWXFTROWJSEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S.C2HF3O2/c1-4(5)2-7(3-4)10(6,8)9;3-2(4,5)1(6)7/h2-3,5H2,1H3,(H2,6,8,9);(H,6,7).
What are the key properties of 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 279.24 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167732811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).