1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane

C7H13F3N2O2S — CID 112690637

IUPAC1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane
SMILESCC(C1CC1)N(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C7H13F3N2O2S/c1-5(6-2-3-6)12(15(11,13)14)4-7(8,9)10/h5-6H,2-4H2,1H3,(H2,11,13,14)
InChIKeyHROOBDYBHVBJMW-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.85
Rot. Bonds4

About 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane

1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane (PubChem CID 112690637) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane.

Molecular Properties

Compound Name1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane
PubChem CID112690637
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane
SMILESCC(C1CC1)N(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C7H13F3N2O2S/c1-5(6-2-3-6)12(15(11,13)14)4-7(8,9)10/h5-6H,2-4H2,1H3,(H2,11,13,14)
InChIKeyHROOBDYBHVBJMW-UHFFFAOYSA-N
XLogP0.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 43420731
CID 43420731
CID 51682857
CID 51682857
CID 51682858
CID 51682858

Frequently Asked Questions

What is the IUPAC name of 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane?
The IUPAC name of 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane (CID 112690637) is 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane.
What is the SMILES notation for 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane?
The canonical SMILES for 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane is CC(C1CC1)N(CC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane?
The InChIKey is HROOBDYBHVBJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-5(6-2-3-6)12(15(11,13)14)4-7(8,9)10/h5-6H,2-4H2,1H3,(H2,11,13,14).
What are the key properties of 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane?
1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane has a molecular weight of 246.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[sulfamoyl(2,2,2-trifluoroethyl)amino]ethylcyclopropane is sourced from PubChem (CID 112690637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).