4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane

C16H26N2O3S — CID 56917708

IUPAC4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane
SMILESCCN(C1CCOC(C)(C)C1)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-4-18(15-10-11-21-16(2,3)12-15)22(19,20)17-13-14-8-6-5-7-9-14/h5-9,15,17H,4,10-13H2,1-3H3
InChIKeyAKTWTGRPOQCQTC-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.30
Rot. Bonds6

About 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane

4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane (PubChem CID 56917708) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane.

Molecular Properties

Compound Name4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane
PubChem CID56917708
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane
SMILESCCN(C1CCOC(C)(C)C1)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-4-18(15-10-11-21-16(2,3)12-15)22(19,20)17-13-14-8-6-5-7-9-14/h5-9,15,17H,4,10-13H2,1-3H3
InChIKeyAKTWTGRPOQCQTC-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane 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 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane?
The IUPAC name of 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane (CID 56917708) is 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane.
What is the SMILES notation for 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane?
The canonical SMILES for 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane is CCN(C1CCOC(C)(C)C1)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane?
The InChIKey is AKTWTGRPOQCQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-18(15-10-11-21-16(2,3)12-15)22(19,20)17-13-14-8-6-5-7-9-14/h5-9,15,17H,4,10-13H2,1-3H3.
What are the key properties of 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane?
4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane has a molecular weight of 326.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzylsulfamoyl(ethyl)amino]-2,2-dimethyloxane is sourced from PubChem (CID 56917708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).