2-ethylsulfinylethylurea

C5H12N2O2S — CID 88801947

IUPAC2-ethylsulfinylethylurea
SMILESCCS(=O)CCNC(N)=O
InChIInChI=1S/C5H12N2O2S/c1-2-10(9)4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeyCETYHIBHGQZWMB-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.58
Rot. Bonds4

About 2-ethylsulfinylethylurea

2-ethylsulfinylethylurea (PubChem CID 88801947) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-ethylsulfinylethylurea.

Molecular Properties

Compound Name2-ethylsulfinylethylurea
PubChem CID88801947
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-ethylsulfinylethylurea
SMILESCCS(=O)CCNC(N)=O
InChIInChI=1S/C5H12N2O2S/c1-2-10(9)4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeyCETYHIBHGQZWMB-UHFFFAOYSA-N
XLogP-0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Methylsulfanyl)ethyl]urea
CID 248540
3-(2-Tert-butylsulfinylethyl)-1,1-diethylurea
CID 60322754
(2-((2-(Ethylthio)ethyl)thio)ethyl)urea
CID 3024161
N-[2-(Methanesulfonyl)ethyl]carbamimidic acid
CID 250253
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
S-[2-(carbamoylamino)ethyl] carbamothioate
CID 20339946
1-[2-(2-Ethylsulfanylethylsulfanyl)ethyl]-3-methylsulfonylurea
CID 20564656
2-(2-Methylsulfanylethylsulfanyl)ethylurea
CID 20564663
2-Ethylsulfanylethylurea
CID 21138948
2-(2-Aminoethylsulfanyl)ethylurea
CID 21322474

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinylethylurea?
The IUPAC name of 2-ethylsulfinylethylurea (CID 88801947) is 2-ethylsulfinylethylurea.
What is the SMILES notation for 2-ethylsulfinylethylurea?
The canonical SMILES for 2-ethylsulfinylethylurea is CCS(=O)CCNC(N)=O.
What is the InChIKey of 2-ethylsulfinylethylurea?
The InChIKey is CETYHIBHGQZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-10(9)4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8).
What are the key properties of 2-ethylsulfinylethylurea?
2-ethylsulfinylethylurea has a molecular weight of 164.23 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinylethylurea is sourced from PubChem (CID 88801947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).