1-cyclobutyl-3-(3-methylsulfonylpropyl)urea

C9H18N2O3S — CID 115617843

IUPAC1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
SMILESCS(=O)(=O)CCCNC(=O)NC1CCC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)7-3-6-10-9(12)11-8-4-2-5-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyYFIQKRSDOGYYKE-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.27
Rot. Bonds5

About 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea

1-cyclobutyl-3-(3-methylsulfonylpropyl)urea (PubChem CID 115617843) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
PubChem CID115617843
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
SMILESCS(=O)(=O)CCCNC(=O)NC1CCC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)7-3-6-10-9(12)11-8-4-2-5-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyYFIQKRSDOGYYKE-UHFFFAOYSA-N
XLogP0.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-cyclohexyl-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 110958583
2-(cyclopentylamino)-N-(3-methylsulfonylpropyl)acetamide
CID 54904868
1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea
CID 84523572
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
3-(3-sulfamoylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043374
1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
CID 103860224
1-ethyl-3-(3-methylsulfonylpropyl)urea
CID 47481210
1-butyl-3-(3-methylsulfonylpropyl)urea
CID 115597957
1-cyclopentyl-3-propylurea
CID 14343339
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea?
The IUPAC name of 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea (CID 115617843) is 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea is CS(=O)(=O)CCCNC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea?
The InChIKey is YFIQKRSDOGYYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-15(13,14)7-3-6-10-9(12)11-8-4-2-5-8/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea?
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea has a molecular weight of 234.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3-methylsulfonylpropyl)urea is sourced from PubChem (CID 115617843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).