1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea

C7H13F3N2O3S — CID 115626188

IUPAC1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(CS(C)(=O)=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-5(3-16(2,14)15)12-6(13)11-4-7(8,9)10/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyIGJQRBAPPDRIOY-UHFFFAOYSA-N
MW262.25 g/mol
LogP0.28
Rot. Bonds4

About 1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115626188) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115626188
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(CS(C)(=O)=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-5(3-16(2,14)15)12-6(13)11-4-7(8,9)10/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyIGJQRBAPPDRIOY-UHFFFAOYSA-N
XLogP0.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylsulfonylpropan-2-yl)-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-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 115626188) is 1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea is CC(CS(C)(=O)=O)NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IGJQRBAPPDRIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-5(3-16(2,14)15)12-6(13)11-4-7(8,9)10/h5H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 262.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115626188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).