1-(2-ethylsulfinylethyl)-3-methylurea

C6H14N2O2S — CID 115645018

IUPAC1-(2-ethylsulfinylethyl)-3-methylurea
SMILESCCS(=O)CCNC(=O)NC
InChIInChI=1S/C6H14N2O2S/c1-3-11(10)5-4-8-6(9)7-2/h3-5H2,1-2H3,(H2,7,8,9)
InChIKeyQGUXLTSLCPIRHO-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.32
Rot. Bonds4

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

1-(2-ethylsulfinylethyl)-3-methylurea (PubChem CID 115645018) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-(2-ethylsulfinylethyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-ethylsulfinylethyl)-3-methylurea
PubChem CID115645018
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-(2-ethylsulfinylethyl)-3-methylurea
SMILESCCS(=O)CCNC(=O)NC
InChIInChI=1S/C6H14N2O2S/c1-3-11(10)5-4-8-6(9)7-2/h3-5H2,1-2H3,(H2,7,8,9)
InChIKeyQGUXLTSLCPIRHO-UHFFFAOYSA-N
XLogP-0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-ethylsulfinylethyl)propanamide
CID 103796520
3-(2-ethylsulfinylethylcarbamoylamino)-4,4-dimethylpentanoic acid
CID 113495112
(2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide
CID 103796523
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
1-butyl-3-methylurea;hydrochloride
CID 20501295
6-(methylcarbamoylamino)hexane-1-sulfinate
CID 148533155
1-methyl-3-nonylurea
CID 91937244
4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide
CID 103156713
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836
1-[2-(dimethylamino)ethyl]-3-methylurea;propane
CID 158826025
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(S)-ethylsulfinyl]ethyl]urea
CID 95770370
1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea
CID 116510280

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfinylethyl)-3-methylurea?
The IUPAC name of 1-(2-ethylsulfinylethyl)-3-methylurea (CID 115645018) is 1-(2-ethylsulfinylethyl)-3-methylurea.
What is the SMILES notation for 1-(2-ethylsulfinylethyl)-3-methylurea?
The canonical SMILES for 1-(2-ethylsulfinylethyl)-3-methylurea is CCS(=O)CCNC(=O)NC.
What is the InChIKey of 1-(2-ethylsulfinylethyl)-3-methylurea?
The InChIKey is QGUXLTSLCPIRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-3-11(10)5-4-8-6(9)7-2/h3-5H2,1-2H3,(H2,7,8,9).
What are the key properties of 1-(2-ethylsulfinylethyl)-3-methylurea?
1-(2-ethylsulfinylethyl)-3-methylurea has a molecular weight of 178.26 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfinylethyl)-3-methylurea is sourced from PubChem (CID 115645018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).