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

C10H22N2OS — CID 141077298

IUPAC1-ethyl-3-(2-pentylsulfanylethyl)urea
SMILESCCCCCSCCNC(=O)NCC
InChIInChI=1S/C10H22N2OS/c1-3-5-6-8-14-9-7-12-10(13)11-4-2/h3-9H2,1-2H3,(H2,11,12,13)
InChIKeyQJRCZIAVMPFXME-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.23
Rot. Bonds8

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

1-ethyl-3-(2-pentylsulfanylethyl)urea (PubChem CID 141077298) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-ethyl-3-(2-pentylsulfanylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-pentylsulfanylethyl)urea
PubChem CID141077298
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-ethyl-3-(2-pentylsulfanylethyl)urea
SMILESCCCCCSCCNC(=O)NCC
InChIInChI=1S/C10H22N2OS/c1-3-5-6-8-14-9-7-12-10(13)11-4-2/h3-9H2,1-2H3,(H2,11,12,13)
InChIKeyQJRCZIAVMPFXME-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(4-oxotridecyldisulfanyl)ethyl]urea
CID 159485021
1-hexyl-3-[4-[4-(hexylcarbamoylamino)butyldisulfanyl]butyl]urea
CID 167732095
1-[3-(butylamino)propyl]-3-ethylurea
CID 22381484
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
1-butyl-3-octylurea
CID 17269600
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
CID 71350823
1-[3-[4-(5-oxo-9-undecylsulfanylnonyl)piperazin-1-yl]propyl]-3-(3-undecylsulfanylpropyl)urea
CID 157323774
2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine
CID 3428035
1-propyl-3-tridecylurea
CID 10934987
1-hexylsulfanyloctadecane
CID 21424485
1-octadecylsulfanyloctacosane
CID 87077538

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-pentylsulfanylethyl)urea?
The IUPAC name of 1-ethyl-3-(2-pentylsulfanylethyl)urea (CID 141077298) is 1-ethyl-3-(2-pentylsulfanylethyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-pentylsulfanylethyl)urea?
The canonical SMILES for 1-ethyl-3-(2-pentylsulfanylethyl)urea is CCCCCSCCNC(=O)NCC.
What is the InChIKey of 1-ethyl-3-(2-pentylsulfanylethyl)urea?
The InChIKey is QJRCZIAVMPFXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-3-5-6-8-14-9-7-12-10(13)11-4-2/h3-9H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-ethyl-3-(2-pentylsulfanylethyl)urea?
1-ethyl-3-(2-pentylsulfanylethyl)urea has a molecular weight of 218.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-pentylsulfanylethyl)urea is sourced from PubChem (CID 141077298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).