1-cyclobutyl-3-(4-methylsulfonylphenyl)urea

C12H16N2O3S — CID 115617892

IUPAC1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)NC2CCC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)11-7-5-10(6-8-11)14-12(15)13-9-3-2-4-9/h5-9H,2-4H2,1H3,(H2,13,14,15)
InChIKeyCSKUBKYBZIBMJL-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.76
Rot. Bonds3

About 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea

1-cyclobutyl-3-(4-methylsulfonylphenyl)urea (PubChem CID 115617892) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
PubChem CID115617892
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)NC2CCC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)11-7-5-10(6-8-11)14-12(15)13-9-3-2-4-9/h5-9H,2-4H2,1H3,(H2,13,14,15)
InChIKeyCSKUBKYBZIBMJL-UHFFFAOYSA-N
XLogP1.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea
CID 108875238
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea (CID 115617892) is 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea is CS(=O)(=O)c1ccc(NC(=O)NC2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea?
The InChIKey is CSKUBKYBZIBMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-18(16,17)11-7-5-10(6-8-11)14-12(15)13-9-3-2-4-9/h5-9H,2-4H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea?
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea has a molecular weight of 268.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 115617892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).