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

C7H13F3N2O2S — CID 115629363

IUPAC1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCS(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-2-15(14)4-3-11-6(13)12-5-7(8,9)10/h2-5H2,1H3,(H2,11,12,13)
InChIKeyFDYXPIITDPQSNG-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.62
Rot. Bonds5

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

1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115629363) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115629363
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCS(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-2-15(14)4-3-11-6(13)12-5-7(8,9)10/h2-5H2,1H3,(H2,11,12,13)
InChIKeyFDYXPIITDPQSNG-UHFFFAOYSA-N
XLogP0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Tert-butylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 72041902
1-[2-[(S)-tert-butylsulfinyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 95980456
1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 95980457
1-[2-(Methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 102675488
1-(1-Methylsulfinylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 104438877
1-[2-(Dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 106335739
1-(2-Sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583982
1-(2-Methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592910
1-(3-Methylsulfonylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592918
1-(2-Methylsulfanylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115604458
1-Methyl-1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115609256
1-oxo-N-(2,2,2-trifluoroethyl)-1,4-thiazinane-4-carboxamide
CID 115613472

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115629363) is 1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea is CCS(=O)CCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is FDYXPIITDPQSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-2-15(14)4-3-11-6(13)12-5-7(8,9)10/h2-5H2,1H3,(H2,11,12,13).
What are the key properties of 1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 246.25 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115629363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).