2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane

C15H24N2O3S — CID 56874129

IUPAC2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane
SMILESCN(CCCC1CCCO1)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-17(11-5-9-15-10-6-12-20-15)21(18,19)16-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3
InChIKeySSQIYXMWCNQPGK-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.91
Rot. Bonds8

About 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane

2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane (PubChem CID 56874129) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane.

Molecular Properties

Compound Name2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane
PubChem CID56874129
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane
SMILESCN(CCCC1CCCO1)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-17(11-5-9-15-10-6-12-20-15)21(18,19)16-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3
InChIKeySSQIYXMWCNQPGK-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane 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 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane?
The IUPAC name of 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane (CID 56874129) is 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane.
What is the SMILES notation for 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane?
The canonical SMILES for 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane is CN(CCCC1CCCO1)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane?
The InChIKey is SSQIYXMWCNQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-17(11-5-9-15-10-6-12-20-15)21(18,19)16-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3.
What are the key properties of 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane?
2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane has a molecular weight of 312.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzylsulfamoyl(methyl)amino]propyl]oxolane is sourced from PubChem (CID 56874129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).