1-cyclobutyl-3-(2-methylsulfonylethyl)urea

C8H16N2O3S — CID 84522289

IUPAC1-cyclobutyl-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NC1CCC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)6-5-9-8(11)10-7-3-2-4-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyKFBFRSHDZDZAIS-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.12
Rot. Bonds4

About 1-cyclobutyl-3-(2-methylsulfonylethyl)urea

1-cyclobutyl-3-(2-methylsulfonylethyl)urea (PubChem CID 84522289) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-methylsulfonylethyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-methylsulfonylethyl)urea
PubChem CID84522289
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1-cyclobutyl-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NC1CCC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)6-5-9-8(11)10-7-3-2-4-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyKFBFRSHDZDZAIS-UHFFFAOYSA-N
XLogP-0.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843
1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea
CID 84523572
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
1-cyclopentyl-3-propylurea
CID 14343339
3-(cyclobutylcarbamoylamino)-N-methylpropanamide
CID 115617988
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043362
N-(2-methylsulfonylethyl)cyclopropanecarboxamide
CID 61066556
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea
CID 110631840

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-methylsulfonylethyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2-methylsulfonylethyl)urea (CID 84522289) is 1-cyclobutyl-3-(2-methylsulfonylethyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2-methylsulfonylethyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2-methylsulfonylethyl)urea is CS(=O)(=O)CCNC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-methylsulfonylethyl)urea?
The InChIKey is KFBFRSHDZDZAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-14(12,13)6-5-9-8(11)10-7-3-2-4-7/h7H,2-6H2,1H3,(H2,9,10,11).
What are the key properties of 1-cyclobutyl-3-(2-methylsulfonylethyl)urea?
1-cyclobutyl-3-(2-methylsulfonylethyl)urea has a molecular weight of 220.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-methylsulfonylethyl)urea is sourced from PubChem (CID 84522289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).