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

C7H14F3N3O3S — CID 106335739

IUPAC1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C)S(=O)(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-13(2)17(15,16)4-3-11-6(14)12-5-7(8,9)10/h3-5H2,1-2H3,(H2,11,12,14)
InChIKeyBIRSSEFFXPNEMF-UHFFFAOYSA-N
MW277.27 g/mol
LogP-0.26
Rot. Bonds5

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

1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 106335739) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID106335739
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC Name1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C)S(=O)(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-13(2)17(15,16)4-3-11-6(14)12-5-7(8,9)10/h3-5H2,1-2H3,(H2,11,12,14)
InChIKeyBIRSSEFFXPNEMF-UHFFFAOYSA-N
XLogP-0.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 106335739) is 1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea is CN(C)S(=O)(=O)CCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is BIRSSEFFXPNEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c1-13(2)17(15,16)4-3-11-6(14)12-5-7(8,9)10/h3-5H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 277.27 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 106335739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).