1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea

C11H16N2O2S — CID 110890577

IUPAC1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCCCO
InChIInChI=1S/C11H16N2O2S/c1-16-10-6-3-2-5-9(10)13-11(15)12-7-4-8-14/h2-3,5-6,14H,4,7-8H2,1H3,(H2,12,13,15)
InChIKeyNOBOWPAHJOJYRP-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.91
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea

1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea (PubChem CID 110890577) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
PubChem CID110890577
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCCCO
InChIInChI=1S/C11H16N2O2S/c1-16-10-6-3-2-5-9(10)13-11(15)12-7-4-8-14/h2-3,5-6,14H,4,7-8H2,1H3,(H2,12,13,15)
InChIKeyNOBOWPAHJOJYRP-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
1-(3-hydroxypropyl)-3-[2-(2-phenylethynyl)phenyl]urea
CID 111566381
N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide
CID 47195585
1-(4-hydroxy-2-methylbutan-2-yl)-3-(2-methylsulfanylphenyl)urea
CID 111925837
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
2-[[(2-methylsulfanylphenyl)carbamoylamino]methyl]pentanoic acid
CID 107642350
3-hydroxy-3-methyl-4-[(2-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 107642376
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
1-(3-hydroxypropyl)-3-[2-(3,4,5-trifluorophenyl)phenyl]urea
CID 111618299
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea (CID 110890577) is 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea is CSc1ccccc1NC(=O)NCCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea?
The InChIKey is NOBOWPAHJOJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16-10-6-3-2-5-9(10)13-11(15)12-7-4-8-14/h2-3,5-6,14H,4,7-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea?
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea has a molecular weight of 240.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 110890577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).