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

C6H12F3N3O3S — CID 102675488

IUPAC1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCNS(=O)(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H12F3N3O3S/c1-10-16(14,15)3-2-11-5(13)12-4-6(7,8)9/h10H,2-4H2,1H3,(H2,11,12,13)
InChIKeyWUUVNNLWRUEGCQ-UHFFFAOYSA-N
MW263.24 g/mol
LogP-0.60
Rot. Bonds5

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

1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 102675488) has the molecular formula C6H12F3N3O3S and a molecular weight of 263.24 g/mol. Its IUPAC name is 1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID102675488
Molecular FormulaC6H12F3N3O3S
Molecular Weight263.24 g/mol
Exact Mass263.06
IUPAC Name1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCNS(=O)(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H12F3N3O3S/c1-10-16(14,15)3-2-11-5(13)12-4-6(7,8)9/h10H,2-4H2,1H3,(H2,11,12,13)
InChIKeyWUUVNNLWRUEGCQ-UHFFFAOYSA-N
XLogP-0.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 102675488) is 1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea is CNS(=O)(=O)CCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is WUUVNNLWRUEGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O3S/c1-10-16(14,15)3-2-11-5(13)12-4-6(7,8)9/h10H,2-4H2,1H3,(H2,11,12,13).
What are the key properties of 1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 263.24 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 102675488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).