1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea

C9H20N2O3S — CID 90523244

IUPAC1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(C)(O)CSC
InChIInChI=1S/C9H20N2O3S/c1-9(13,7-15-3)6-11-8(12)10-4-5-14-2/h13H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyVWIJZILKRJLSAT-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.05
Rot. Bonds7

About 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea

1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea (PubChem CID 90523244) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea
PubChem CID90523244
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(C)(O)CSC
InChIInChI=1S/C9H20N2O3S/c1-9(13,7-15-3)6-11-8(12)10-4-5-14-2/h13H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyVWIJZILKRJLSAT-UHFFFAOYSA-N
XLogP0.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 106248558
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-[2-(4-methylphenyl)propyl]urea
CID 111439069
1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 71787244
2,3,4,5,6-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 106244759
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362
methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 104645029
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
CID 90522960
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3,4-trimethoxybenzamide
CID 90523042
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoate
CID 114163451
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfanylbenzamide
CID 113239555

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea (CID 90523244) is 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea is COCCNC(=O)NCC(C)(O)CSC.
What is the InChIKey of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea?
The InChIKey is VWIJZILKRJLSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(13,7-15-3)6-11-8(12)10-4-5-14-2/h13H,4-7H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea?
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea has a molecular weight of 236.34 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 90523244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).