1-(2-ethylsulfanylpropyl)-3-methylurea

C7H16N2OS — CID 88810913

IUPAC1-(2-ethylsulfanylpropyl)-3-methylurea
SMILESCCSC(C)CNC(=O)NC
InChIInChI=1S/C7H16N2OS/c1-4-11-6(2)5-9-7(10)8-3/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyFGOKYRXQRINDQA-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.06
Rot. Bonds4

About 1-(2-ethylsulfanylpropyl)-3-methylurea

1-(2-ethylsulfanylpropyl)-3-methylurea (PubChem CID 88810913) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-(2-ethylsulfanylpropyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-ethylsulfanylpropyl)-3-methylurea
PubChem CID88810913
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name1-(2-ethylsulfanylpropyl)-3-methylurea
SMILESCCSC(C)CNC(=O)NC
InChIInChI=1S/C7H16N2OS/c1-4-11-6(2)5-9-7(10)8-3/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyFGOKYRXQRINDQA-UHFFFAOYSA-N
XLogP1.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Methylsulfanyl)ethyl]urea
CID 248540
1,3-Bis(2-(methylsulfanyl)ethyl)urea
CID 86123774
3,3-Dimethyl-1-(2-(methylsulfanyl)ethyl)urea
CID 115575774
3,3-Dimethyl-1-(3-(methylsulfanyl)propyl)urea
CID 115636311
1-Methyl-3-(3-(methylsulfanyl)propyl)urea
CID 115640894
3-[2-(Methylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea hydrochloride
CID 146049127
(2-((2-(Ethylthio)ethyl)thio)ethyl)urea
CID 3024161
1-[3-[Difluoro(methyl)-lambda4-sulfanyl]propyl]-3-methylurea
CID 170264475
Carbamothioic acid, N-[1-(dimethylamino)propyl]-, S-ethyl ester, hydrochloride (1:1)
CID 23619586
1-(3-Methylsulfanylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115640149
1-(2-Methylsulfanylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115758263
1-[2-(Methylamino)ethyl]-3-[2-(methylsulfanyl)ethyl]urea
CID 146049128

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylpropyl)-3-methylurea?
The IUPAC name of 1-(2-ethylsulfanylpropyl)-3-methylurea (CID 88810913) is 1-(2-ethylsulfanylpropyl)-3-methylurea.
What is the SMILES notation for 1-(2-ethylsulfanylpropyl)-3-methylurea?
The canonical SMILES for 1-(2-ethylsulfanylpropyl)-3-methylurea is CCSC(C)CNC(=O)NC.
What is the InChIKey of 1-(2-ethylsulfanylpropyl)-3-methylurea?
The InChIKey is FGOKYRXQRINDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-4-11-6(2)5-9-7(10)8-3/h6H,4-5H2,1-3H3,(H2,8,9,10).
What are the key properties of 1-(2-ethylsulfanylpropyl)-3-methylurea?
1-(2-ethylsulfanylpropyl)-3-methylurea has a molecular weight of 176.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylpropyl)-3-methylurea is sourced from PubChem (CID 88810913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).