3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid

C8H16F3N3O4S — CID 175727592

IUPAC3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESCN(CCC1CNC1)S(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3O2S.C2HF3O2/c1-9(12(7,10)11)3-2-6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3,(H2,7,10,11);(H,6,7)
InChIKeyBAVMMYSMTDSGNT-UHFFFAOYSA-N
MW307.29 g/mol
LogP-0.64
Rot. Bonds4

About 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid

3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid (PubChem CID 175727592) has the molecular formula C8H16F3N3O4S and a molecular weight of 307.29 g/mol. Its IUPAC name is 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
PubChem CID175727592
Molecular FormulaC8H16F3N3O4S
Molecular Weight307.29 g/mol
Exact Mass307.08
IUPAC Name3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
SMILESCN(CCC1CNC1)S(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3O2S.C2HF3O2/c1-9(12(7,10)11)3-2-6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3,(H2,7,10,11);(H,6,7)
InChIKeyBAVMMYSMTDSGNT-UHFFFAOYSA-N
XLogP-0.64
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(Sulfamoylamino)propan-2-yl]azetidine;2,2,2-trifluoroacetic acid
CID 175727572
3-[2-(Sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727596
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-[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
3-[2-[Cyclopropyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947640
3-[2-[Propan-2-yl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175947646
[2-(Azetidin-3-yl)ethyl](methyl)amine, bis(trifluoroacetic acid)
CID 165975992
2-(Azetidin-3-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 168432744

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid (CID 175727592) is 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid is CN(CCC1CNC1)S(N)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is BAVMMYSMTDSGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S.C2HF3O2/c1-9(12(7,10)11)3-2-6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3,(H2,7,10,11);(H,6,7).
What are the key properties of 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid?
3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 307.29 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(sulfamoyl)amino]ethyl]azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175727592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).