3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine

C9H18F3N3O2S — CID 138051463

IUPAC3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCCN(C1CCN(CC(F)(F)F)C1)S(=O)(=O)NC
InChIInChI=1S/C9H18F3N3O2S/c1-3-15(18(16,17)13-2)8-4-5-14(6-8)7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyFOSPZAOHLXVPOA-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.41
Rot. Bonds5

About 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine

3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 138051463) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID138051463
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCCN(C1CCN(CC(F)(F)F)C1)S(=O)(=O)NC
InChIInChI=1S/C9H18F3N3O2S/c1-3-15(18(16,17)13-2)8-4-5-14(6-8)7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyFOSPZAOHLXVPOA-UHFFFAOYSA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 138051463) is 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine is CCN(C1CCN(CC(F)(F)F)C1)S(=O)(=O)NC.
What is the InChIKey of 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is FOSPZAOHLXVPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-3-15(18(16,17)13-2)8-4-5-14(6-8)7-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine?
3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 289.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methylsulfamoyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 138051463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).