1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea

C10H14N2O3S — CID 111426589

IUPAC1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea
SMILESCS(=O)c1cccc(NC(=O)NCCO)c1
InChIInChI=1S/C10H14N2O3S/c1-16(15)9-4-2-3-8(7-9)12-10(14)11-5-6-13/h2-4,7,13H,5-6H2,1H3,(H2,11,12,14)
InChIKeyFFMYGSVNSXTBFN-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.54
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea

1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea (PubChem CID 111426589) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea
PubChem CID111426589
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea
SMILESCS(=O)c1cccc(NC(=O)NCCO)c1
InChIInChI=1S/C10H14N2O3S/c1-16(15)9-4-2-3-8(7-9)12-10(14)11-5-6-13/h2-4,7,13H,5-6H2,1H3,(H2,11,12,14)
InChIKeyFFMYGSVNSXTBFN-UHFFFAOYSA-N
XLogP0.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-[3-[(R)-methylsulfinyl]phenyl]urea
CID 99777248
2-(3-methylsulfinylanilino)-2-oxoacetic acid
CID 21442505
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea
CID 71982682
1-(3-butylsulfinamoylphenyl)-3-(2-chloroethyl)urea
CID 142971433
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-methylsulfinylphenyl)urea
CID 71982809
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
N-(5,5-dimethylhexyl)-N'-[3-[(S)-methylsulfinyl]phenyl]oxamide
CID 95773556
1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)-1-prop-2-enylurea
CID 111426579
2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride
CID 119300630
1-[3-(methylsulfanylmethyl)phenyl]-3-[2-[(R)-phenylsulfinyl]ethyl]urea
CID 95630532
1-[3-[(S)-methylsulfinyl]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97214594

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea (CID 111426589) is 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea is CS(=O)c1cccc(NC(=O)NCCO)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea?
The InChIKey is FFMYGSVNSXTBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-16(15)9-4-2-3-8(7-9)12-10(14)11-5-6-13/h2-4,7,13H,5-6H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea?
1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea has a molecular weight of 242.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea is sourced from PubChem (CID 111426589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).