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

C6H11F3N2O4S — CID 175890535

IUPAC3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCC1CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O2S.C2HF3O2/c1-4-2-6(3-4)9(5,7)8;3-2(4,5)1(6)7/h4H,2-3H2,1H3,(H2,5,7,8);(H,6,7)
InChIKeyWMZVSWOYUFSTOL-UHFFFAOYSA-N
MW264.22 g/mol
LogP-0.23
Rot. Bonds1

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

3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175890535) has the molecular formula C6H11F3N2O4S and a molecular weight of 264.22 g/mol. Its IUPAC name is 3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175890535
Molecular FormulaC6H11F3N2O4S
Molecular Weight264.22 g/mol
Exact Mass264.04
IUPAC Name3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCC1CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O2S.C2HF3O2/c1-4-2-6(3-4)9(5,7)8;3-2(4,5)1(6)7/h4H,2-3H2,1H3,(H2,5,7,8);(H,6,7)
InChIKeyWMZVSWOYUFSTOL-UHFFFAOYSA-N
XLogP-0.23
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175428876
3-[2-(Sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727596
3-(Methoxymethyl)-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890438
3-Fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890459
3-Fluoroazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 176092943
1-(2,2,2-Trifluoroethylsulfamoyl)azetidine-3-carboxylic acid
CID 114806245
3-Amino-3-methylazetidine-1-sulfonamide; trifluoroacetic acid
CID 167732811

Frequently Asked Questions

What is the IUPAC name of 3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 175890535) is 3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is CC1CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is WMZVSWOYUFSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S.C2HF3O2/c1-4-2-6(3-4)9(5,7)8;3-2(4,5)1(6)7/h4H,2-3H2,1H3,(H2,5,7,8);(H,6,7).
What are the key properties of 3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 264.22 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175890535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).