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

C6H11F3N2O2S — CID 115633279

IUPAC1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCS(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c1-14(13)3-2-10-5(12)11-4-6(7,8)9/h2-4H2,1H3,(H2,10,11,12)
InChIKeyLOUXURJNJLCQQC-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.23
Rot. Bonds4

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

1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115633279) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115633279
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCS(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c1-14(13)3-2-10-5(12)11-4-6(7,8)9/h2-4H2,1H3,(H2,10,11,12)
InChIKeyLOUXURJNJLCQQC-UHFFFAOYSA-N
XLogP0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(Methanesulfonyl)ethyl]carbamimidic acid
CID 250253
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115633279) is 1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea is CS(=O)CCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is LOUXURJNJLCQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c1-14(13)3-2-10-5(12)11-4-6(7,8)9/h2-4H2,1H3,(H2,10,11,12).
What are the key properties of 1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 232.23 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115633279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).