1-ethyl-3-(2-methylsulfonylethyl)urea

C6H14N2O3S — CID 89278924

IUPAC1-ethyl-3-(2-methylsulfonylethyl)urea
SMILESCCNC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-3-7-6(9)8-4-5-12(2,10)11/h3-5H2,1-2H3,(H2,7,8,9)
InChIKeyKJPSCBRUZRYTII-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.65
Rot. Bonds4

About 1-ethyl-3-(2-methylsulfonylethyl)urea

1-ethyl-3-(2-methylsulfonylethyl)urea (PubChem CID 89278924) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylsulfonylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-methylsulfonylethyl)urea
PubChem CID89278924
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name1-ethyl-3-(2-methylsulfonylethyl)urea
SMILESCCNC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-3-7-6(9)8-4-5-12(2,10)11/h3-5H2,1-2H3,(H2,7,8,9)
InChIKeyKJPSCBRUZRYTII-UHFFFAOYSA-N
XLogP-0.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea
CID 88684532
N-[2-(Methanesulfonyl)ethyl]carbamimidic acid
CID 250253
2-Sulfamoylethylurea
CID 43552136
1-[2-(Methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 102675488
1-[2-(Dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 106335739
1-(2-Methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592910
1-(3-Methylsulfonylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592918
1-Methyl-1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115609256
1-(2-Ethylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115629363
1-(2-Methylsulfinylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115633279
N-Methyl-1-[2-(methylcarbamoylamino)ethylsulfanyl]formamide
CID 349968
2-(Methylcarbamoylamino)ethanesulfonic acid
CID 13484152

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylsulfonylethyl)urea?
The IUPAC name of 1-ethyl-3-(2-methylsulfonylethyl)urea (CID 89278924) is 1-ethyl-3-(2-methylsulfonylethyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-methylsulfonylethyl)urea?
The canonical SMILES for 1-ethyl-3-(2-methylsulfonylethyl)urea is CCNC(=O)NCCS(C)(=O)=O.
What is the InChIKey of 1-ethyl-3-(2-methylsulfonylethyl)urea?
The InChIKey is KJPSCBRUZRYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-3-7-6(9)8-4-5-12(2,10)11/h3-5H2,1-2H3,(H2,7,8,9).
What are the key properties of 1-ethyl-3-(2-methylsulfonylethyl)urea?
1-ethyl-3-(2-methylsulfonylethyl)urea has a molecular weight of 194.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylsulfonylethyl)urea is sourced from PubChem (CID 89278924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).