1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea

C9H20N2O2S — CID 71787402

IUPAC1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea
SMILESCCNC(=O)NCC(C)(O)CCSC
InChIInChI=1S/C9H20N2O2S/c1-4-10-8(12)11-7-9(2,13)5-6-14-3/h13H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyMSHPJOIHFAVTOG-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.81
Rot. Bonds6

About 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea

1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea (PubChem CID 71787402) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea
PubChem CID71787402
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea
SMILESCCNC(=O)NCC(C)(O)CCSC
InChIInChI=1S/C9H20N2O2S/c1-4-10-8(12)11-7-9(2,13)5-6-14-3/h13H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyMSHPJOIHFAVTOG-UHFFFAOYSA-N
XLogP0.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)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

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-N'-(2,2,2-trifluoroethyl)oxamide
CID 71787397
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide
CID 71787256
1-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 71787409
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentanecarboxamide
CID 95984261
1-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 95984566
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984553
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984547
1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984563
1-(3,4-dichlorophenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984573
1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
CID 103708307
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide
CID 65114452

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea?
The IUPAC name of 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea (CID 71787402) is 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea?
The canonical SMILES for 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea is CCNC(=O)NCC(C)(O)CCSC.
What is the InChIKey of 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea?
The InChIKey is MSHPJOIHFAVTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-10-8(12)11-7-9(2,13)5-6-14-3/h13H,4-7H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea?
1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea has a molecular weight of 220.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea is sourced from PubChem (CID 71787402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).