2-[[benzylsulfamoyl(methyl)amino]methyl]oxane

C14H22N2O3S — CID 56874314

IUPAC2-[[benzylsulfamoyl(methyl)amino]methyl]oxane
SMILESCN(CC1CCCCO1)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-16(12-14-9-5-6-10-19-14)20(17,18)15-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyFLPCRVCFTJJHMZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.52
Rot. Bonds6

About 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane

2-[[benzylsulfamoyl(methyl)amino]methyl]oxane (PubChem CID 56874314) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane.

Molecular Properties

Compound Name2-[[benzylsulfamoyl(methyl)amino]methyl]oxane
PubChem CID56874314
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[[benzylsulfamoyl(methyl)amino]methyl]oxane
SMILESCN(CC1CCCCO1)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-16(12-14-9-5-6-10-19-14)20(17,18)15-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyFLPCRVCFTJJHMZ-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane?
The IUPAC name of 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane (CID 56874314) is 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane.
What is the SMILES notation for 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane?
The canonical SMILES for 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane is CN(CC1CCCCO1)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane?
The InChIKey is FLPCRVCFTJJHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(12-14-9-5-6-10-19-14)20(17,18)15-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3.
What are the key properties of 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane?
2-[[benzylsulfamoyl(methyl)amino]methyl]oxane has a molecular weight of 298.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzylsulfamoyl(methyl)amino]methyl]oxane is sourced from PubChem (CID 56874314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).