1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea

C9H19N3O3S — CID 84523572

IUPAC1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea
SMILESCNS(=O)(=O)CCNC(=O)NC1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-10-16(14,15)7-6-11-9(13)12-8-4-2-3-5-8/h8,10H,2-7H2,1H3,(H2,11,12,13)
InChIKeyQZDYOLQTOBKKIP-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.22
Rot. Bonds5

About 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea

1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea (PubChem CID 84523572) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea
PubChem CID84523572
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea
SMILESCNS(=O)(=O)CCNC(=O)NC1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-10-16(14,15)7-6-11-9(13)12-8-4-2-3-5-8/h8,10H,2-7H2,1H3,(H2,11,12,13)
InChIKeyQZDYOLQTOBKKIP-UHFFFAOYSA-N
XLogP-0.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea
CID 110631840
4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106340446
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
1-cyclopentyl-3-propylurea
CID 14343339
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843
2-[2-(methylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106334704
3-(cyclobutylcarbamoylamino)-N-methylpropanamide
CID 115617988
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
1-cyclopentyl-3-ethylurea;ethane
CID 145358709

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea (CID 84523572) is 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea is CNS(=O)(=O)CCNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea?
The InChIKey is QZDYOLQTOBKKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-10-16(14,15)7-6-11-9(13)12-8-4-2-3-5-8/h8,10H,2-7H2,1H3,(H2,11,12,13).
What are the key properties of 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea?
1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea has a molecular weight of 249.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea is sourced from PubChem (CID 84523572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).