1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea

C7H16FN3O3S — CID 88684532

IUPAC1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea
SMILESCN(C)S(=O)(=O)CCNC(=O)NCCF
InChIInChI=1S/C7H16FN3O3S/c1-11(2)15(13,14)6-5-10-7(12)9-4-3-8/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyTZMGMANIWQXFLT-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.85
Rot. Bonds6

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

1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea (PubChem CID 88684532) has the molecular formula C7H16FN3O3S and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea
PubChem CID88684532
Molecular FormulaC7H16FN3O3S
Molecular Weight241.29 g/mol
Exact Mass241.09
IUPAC Name1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea
SMILESCN(C)S(=O)(=O)CCNC(=O)NCCF
InChIInChI=1S/C7H16FN3O3S/c1-11(2)15(13,14)6-5-10-7(12)9-4-3-8/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyTZMGMANIWQXFLT-UHFFFAOYSA-N
XLogP-0.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.85
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-fluoroethyl)urea?
The IUPAC name of 1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea (CID 88684532) is 1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea is CN(C)S(=O)(=O)CCNC(=O)NCCF.
What is the InChIKey of 1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea?
The InChIKey is TZMGMANIWQXFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN3O3S/c1-11(2)15(13,14)6-5-10-7(12)9-4-3-8/h3-6H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea?
1-[2-(dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea has a molecular weight of 241.29 g/mol, XLogP of -0.85, 6 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-fluoroethyl)urea is sourced from PubChem (CID 88684532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).