1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea

C6H11F3N2O3S — CID 115592910

IUPAC1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-15(13,14)3-2-10-5(12)11-4-6(7,8)9/h2-4H2,1H3,(H2,10,11,12)
InChIKeyXTWOONKLDHTAHN-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.11
Rot. Bonds4

About 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115592910) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115592910
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-15(13,14)3-2-10-5(12)11-4-6(7,8)9/h2-4H2,1H3,(H2,10,11,12)
InChIKeyXTWOONKLDHTAHN-UHFFFAOYSA-N
XLogP-0.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea 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 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115592910) is 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea is CS(=O)(=O)CCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is XTWOONKLDHTAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c1-15(13,14)3-2-10-5(12)11-4-6(7,8)9/h2-4H2,1H3,(H2,10,11,12).
What are the key properties of 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 248.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115592910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).