N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid

C7H13F3N2O4S — CID 118497506

IUPACN-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(C1CNC1)S(C)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2S.C2HF3O2/c1-7(10(2,8)9)5-3-6-4-5;3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;(H,6,7)
InChIKeyGZZBNCRKZQXKBB-UHFFFAOYSA-N
MW278.25 g/mol
LogP-0.52
Rot. Bonds2

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

N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 118497506) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID118497506
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC NameN-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(C1CNC1)S(C)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O2S.C2HF3O2/c1-7(10(2,8)9)5-3-6-4-5;3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;(H,6,7)
InChIKeyGZZBNCRKZQXKBB-UHFFFAOYSA-N
XLogP-0.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)cyclopropanesulfonamide; trifluoroacetic acid
CID 138987844
N-(azetidin-3-yl)ethane-1-sulfonamide; trifluoroacetic acid
CID 138990997
[(Azetidin-3-yl)sulfamoyl]dimethylamine; trifluoroacetic acid
CID 138990998
3-Aminoazetidine-1-sulfonyl fluoride; trifluoroacetic acid
CID 154814291
(Azetidin-2-yl)methanesulfonamide; trifluoroacetic acid
CID 165945994
1-Propan-2-ylsulfonylazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 21090393
1-(Azetidin-3-yl)-4-methylsulfonylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 21197669
1-(Azetidin-3-yl)-4-methylsulfonylpiperazine;2,2,2-trifluoroacetic acid
CID 22061359
2-(Azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid
CID 138689974
N-methyl-N-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 169780674
N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 170189656
3-Aminoazetidine-1-sulfonamide, trifluoroacetic acid
CID 170914224

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid (CID 118497506) is N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid is CN(C1CNC1)S(C)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is GZZBNCRKZQXKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.C2HF3O2/c1-7(10(2,8)9)5-3-6-4-5;3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;(H,6,7).
What are the key properties of N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid?
N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 278.25 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methylmethanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118497506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).