1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine

C6H12F3N3O2S — CID 114810347

IUPAC1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine
SMILESNC1CC(NS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)3-11-15(13,14)12-5-1-4(10)2-5/h4-5,11-12H,1-3,10H2
InChIKeyMYOJOFHJOLWIPG-UHFFFAOYSA-N
MW247.24 g/mol
LogP-0.54
Rot. Bonds4

About 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine

1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine (PubChem CID 114810347) has the molecular formula C6H12F3N3O2S and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine
PubChem CID114810347
Molecular FormulaC6H12F3N3O2S
Molecular Weight247.24 g/mol
Exact Mass247.06
IUPAC Name1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine
SMILESNC1CC(NS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)3-11-15(13,14)12-5-1-4(10)2-5/h4-5,11-12H,1-3,10H2
InChIKeyMYOJOFHJOLWIPG-UHFFFAOYSA-N
XLogP-0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine (CID 114810347) is 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine is NC1CC(NS(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine?
The InChIKey is MYOJOFHJOLWIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2S/c7-6(8,9)3-11-15(13,14)12-5-1-4(10)2-5/h4-5,11-12H,1-3,10H2.
What are the key properties of 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine?
1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine has a molecular weight of 247.24 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 114810347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).