[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate

C7H12F3N3O4S — CID 163275532

IUPAC[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESNS(=O)(=O)NCCC1CN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O4S/c8-7(9,10)6(14)17-13-3-5(4-13)1-2-12-18(11,15)16/h5,12H,1-4H2,(H2,11,15,16)
InChIKeyYVSXORPCQHEMDP-UHFFFAOYSA-N
MW291.25 g/mol
LogP-0.88
Rot. Bonds5

About [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate

[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 163275532) has the molecular formula C7H12F3N3O4S and a molecular weight of 291.25 g/mol. Its IUPAC name is [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID163275532
Molecular FormulaC7H12F3N3O4S
Molecular Weight291.25 g/mol
Exact Mass291.05
IUPAC Name[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESNS(=O)(=O)NCCC1CN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O4S/c8-7(9,10)6(14)17-13-3-5(4-13)1-2-12-18(11,15)16/h5,12H,1-4H2,(H2,11,15,16)
InChIKeyYVSXORPCQHEMDP-UHFFFAOYSA-N
XLogP-0.88
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-Methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate
CID 163275116
[3-[2-(Sulfamoylmethylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate
CID 163275614
[3-[3-(Sulfamoylamino)propyl]azetidin-1-yl] 2,2,2-trifluoroacetate
CID 163275631
3-[2-(Sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727596

Frequently Asked Questions

What is the IUPAC name of [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate (CID 163275532) is [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate is NS(=O)(=O)NCCC1CN(OC(=O)C(F)(F)F)C1.
What is the InChIKey of [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is YVSXORPCQHEMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O4S/c8-7(9,10)6(14)17-13-3-5(4-13)1-2-12-18(11,15)16/h5,12H,1-4H2,(H2,11,15,16).
What are the key properties of [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate?
[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 291.25 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(sulfamoylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 163275532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).