3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid

C7H14F3N3O4S — CID 138990998

IUPAC3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid
SMILESCN(C)S(=O)(=O)NC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13N3O2S.C2HF3O2/c1-8(2)11(9,10)7-5-3-6-4-5;3-2(4,5)1(6)7/h5-7H,3-4H2,1-2H3;(H,6,7)
InChIKeyARHROSJGIZKKFJ-UHFFFAOYSA-N
MW293.27 g/mol
LogP-1.01
Rot. Bonds3

About 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid

3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid (PubChem CID 138990998) has the molecular formula C7H14F3N3O4S and a molecular weight of 293.27 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid
PubChem CID138990998
Molecular FormulaC7H14F3N3O4S
Molecular Weight293.27 g/mol
Exact Mass293.07
IUPAC Name3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid
SMILESCN(C)S(=O)(=O)NC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13N3O2S.C2HF3O2/c1-8(2)11(9,10)7-5-3-6-4-5;3-2(4,5)1(6)7/h5-7H,3-4H2,1-2H3;(H,6,7)
InChIKeyARHROSJGIZKKFJ-UHFFFAOYSA-N
XLogP-1.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Azetidin-3-amine; bis(trifluoroacetic acid)
CID 137838504
N-(azetidin-3-yl)ethane-1-sulfonamide; trifluoroacetic acid
CID 138990997
3-Aminoazetidine-1-sulfonyl fluoride; trifluoroacetic acid
CID 154814291
N-methylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 10086968
N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 22636534
3-Methylaminoazetidine hydrochloride trifluoroacetate
CID 68585273
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
N,N-dimethylazetidin-3-amine; trifluoroacetic acid
CID 139291024
Azetidin-3-amine; trifluoroacetic acid
CID 161304816
N-methyl-N-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 169780674

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid (CID 138990998) is 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid is CN(C)S(=O)(=O)NC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is ARHROSJGIZKKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S.C2HF3O2/c1-8(2)11(9,10)7-5-3-6-4-5;3-2(4,5)1(6)7/h5-7H,3-4H2,1-2H3;(H,6,7).
What are the key properties of 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid?
3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 293.27 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138990998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).