1-butyl-3-cyclohexylsulfonylurea

C11H22N2O3S — CID 119089811

IUPAC1-butyl-3-cyclohexylsulfonylurea
SMILESCCCCNC(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-2-3-9-12-11(14)13-17(15,16)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H2,12,13,14)
InChIKeyLUIFSWXKLBLTLH-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.75
Rot. Bonds5

About 1-butyl-3-cyclohexylsulfonylurea

1-butyl-3-cyclohexylsulfonylurea (PubChem CID 119089811) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-butyl-3-cyclohexylsulfonylurea.

Molecular Properties

Compound Name1-butyl-3-cyclohexylsulfonylurea
PubChem CID119089811
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-butyl-3-cyclohexylsulfonylurea
SMILESCCCCNC(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-2-3-9-12-11(14)13-17(15,16)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H2,12,13,14)
InChIKeyLUIFSWXKLBLTLH-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-cyclohexylsulfonylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-cyclohexylsulfonylurea?
The IUPAC name of 1-butyl-3-cyclohexylsulfonylurea (CID 119089811) is 1-butyl-3-cyclohexylsulfonylurea.
What is the SMILES notation for 1-butyl-3-cyclohexylsulfonylurea?
The canonical SMILES for 1-butyl-3-cyclohexylsulfonylurea is CCCCNC(=O)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-butyl-3-cyclohexylsulfonylurea?
The InChIKey is LUIFSWXKLBLTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-3-9-12-11(14)13-17(15,16)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H2,12,13,14).
What are the key properties of 1-butyl-3-cyclohexylsulfonylurea?
1-butyl-3-cyclohexylsulfonylurea has a molecular weight of 262.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-cyclohexylsulfonylurea is sourced from PubChem (CID 119089811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).