3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid

C7H14F3N3O4S — CID 175727596

IUPAC3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)NCCC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13N3O2S.C2HF3O2/c6-11(9,10)8-2-1-5-3-7-4-5;3-2(4,5)1(6)7/h5,7-8H,1-4H2,(H2,6,9,10);(H,6,7)
InChIKeySOCOAIPPAFOWRA-UHFFFAOYSA-N
MW293.27 g/mol
LogP-0.98
Rot. Bonds4

About 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid

3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid (PubChem CID 175727596) has the molecular formula C7H14F3N3O4S and a molecular weight of 293.27 g/mol. Its IUPAC name is 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
PubChem CID175727596
Molecular FormulaC7H14F3N3O4S
Molecular Weight293.27 g/mol
Exact Mass293.07
IUPAC Name3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)NCCC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13N3O2S.C2HF3O2/c6-11(9,10)8-2-1-5-3-7-4-5;3-2(4,5)1(6)7/h5,7-8H,1-4H2,(H2,6,9,10);(H,6,7)
InChIKeySOCOAIPPAFOWRA-UHFFFAOYSA-N
XLogP-0.98
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethylazetidine; trifluoroacetic acid
CID 121553152
3-(2,2-Difluoroethyl)azetidine; trifluoroacetic acid
CID 121553686
3-(2-Fluoroethyl)azetidine trifluoroacetate
CID 137944347
[3-[2-(Sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate
CID 163275532
3-[1-(Sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid
CID 175727572
3-[2-[Methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727592
N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727663
[2-(Azetidin-3-yl)ethylamino]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175727744
1-Methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727790
3-Methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890535
3-[3-(Sulfamoylamino)propyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947604
3-Methyl-3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947620

Frequently Asked Questions

What is the IUPAC name of 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid (CID 175727596) is 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid is NS(=O)(=O)NCCC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is SOCOAIPPAFOWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S.C2HF3O2/c6-11(9,10)8-2-1-5-3-7-4-5;3-2(4,5)1(6)7/h5,7-8H,1-4H2,(H2,6,9,10);(H,6,7).
What are the key properties of 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid?
3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 293.27 g/mol, XLogP of -0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175727596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).