2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane

C16H27N3O3S — CID 56874326

IUPAC2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane
SMILESCN(C)CCN(CC1CCCO1)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H27N3O3S/c1-18(2)10-11-19(14-16-9-6-12-22-16)23(20,21)17-13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14H2,1-2H3
InChIKeyNJQMZAORYXMONX-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.06
Rot. Bonds9

About 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane

2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane (PubChem CID 56874326) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane.

Molecular Properties

Compound Name2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane
PubChem CID56874326
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane
SMILESCN(C)CCN(CC1CCCO1)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H27N3O3S/c1-18(2)10-11-19(14-16-9-6-12-22-16)23(20,21)17-13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14H2,1-2H3
InChIKeyNJQMZAORYXMONX-UHFFFAOYSA-N
XLogP1.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane?
The IUPAC name of 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane (CID 56874326) is 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane.
What is the SMILES notation for 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane?
The canonical SMILES for 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane is CN(C)CCN(CC1CCCO1)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane?
The InChIKey is NJQMZAORYXMONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-18(2)10-11-19(14-16-9-6-12-22-16)23(20,21)17-13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14H2,1-2H3.
What are the key properties of 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane?
2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane has a molecular weight of 341.48 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzylsulfamoyl-[2-(dimethylamino)ethyl]amino]methyl]oxolane is sourced from PubChem (CID 56874326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).