2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane

C10H24N2O4S — CID 79547819

IUPAC2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane
SMILESCCOC(CNS(=O)(=O)N(C)C(C)C)OCC
InChIInChI=1S/C10H24N2O4S/c1-6-15-10(16-7-2)8-11-17(13,14)12(5)9(3)4/h9-11H,6-8H2,1-5H3
InChIKeyAODNINDAENOLQN-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.56
Rot. Bonds9

About 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane

2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane (PubChem CID 79547819) has the molecular formula C10H24N2O4S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane.

Molecular Properties

Compound Name2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane
PubChem CID79547819
Molecular FormulaC10H24N2O4S
Molecular Weight268.38 g/mol
Exact Mass268.15
IUPAC Name2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane
SMILESCCOC(CNS(=O)(=O)N(C)C(C)C)OCC
InChIInChI=1S/C10H24N2O4S/c1-6-15-10(16-7-2)8-11-17(13,14)12(5)9(3)4/h9-11H,6-8H2,1-5H3
InChIKeyAODNINDAENOLQN-UHFFFAOYSA-N
XLogP0.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane 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-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane?
The IUPAC name of 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane (CID 79547819) is 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane.
What is the SMILES notation for 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane?
The canonical SMILES for 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane is CCOC(CNS(=O)(=O)N(C)C(C)C)OCC.
What is the InChIKey of 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane?
The InChIKey is AODNINDAENOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4S/c1-6-15-10(16-7-2)8-11-17(13,14)12(5)9(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane?
2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane has a molecular weight of 268.38 g/mol, XLogP of 0.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-diethoxyethylsulfamoyl(methyl)amino]propane is sourced from PubChem (CID 79547819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).