1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea

C9H19N3O4S — CID 110631840

IUPAC1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea
SMILESCNS(=O)(=O)CCNC(=O)NC1CCOCC1
InChIInChI=1S/C9H19N3O4S/c1-10-17(14,15)7-4-11-9(13)12-8-2-5-16-6-3-8/h8,10H,2-7H2,1H3,(H2,11,12,13)
InChIKeyIGGRPAXQITYXNB-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.99
Rot. Bonds5

About 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea

1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea (PubChem CID 110631840) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea
PubChem CID110631840
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea
SMILESCNS(=O)(=O)CCNC(=O)NC1CCOCC1
InChIInChI=1S/C9H19N3O4S/c1-10-17(14,15)7-4-11-9(13)12-8-2-5-16-6-3-8/h8,10H,2-7H2,1H3,(H2,11,12,13)
InChIKeyIGGRPAXQITYXNB-UHFFFAOYSA-N
XLogP-0.99
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea
CID 84523572
4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106340446
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843
1-(oxan-4-yl)-3-(4-phenylbutyl)urea
CID 118398503
1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
CID 127648179
(2S)-2-amino-3-(oxan-4-ylcarbamoylamino)propanoic acid
CID 67154203
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156
1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea
CID 91812879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea (CID 110631840) is 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea is CNS(=O)(=O)CCNC(=O)NC1CCOCC1.
What is the InChIKey of 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea?
The InChIKey is IGGRPAXQITYXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-10-17(14,15)7-4-11-9(13)12-8-2-5-16-6-3-8/h8,10H,2-7H2,1H3,(H2,11,12,13).
What are the key properties of 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea?
1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea has a molecular weight of 265.33 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 110631840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).