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

C8H20N2O4S — CID 62967511

IUPAC2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane
SMILESCOC(CNS(=O)(=O)N(C)C(C)C)OC
InChIInChI=1S/C8H20N2O4S/c1-7(2)10(3)15(11,12)9-6-8(13-4)14-5/h7-9H,6H2,1-5H3
InChIKeyNTPWPTJPKXRSNR-UHFFFAOYSA-N
MW240.32 g/mol
LogP-0.22
Rot. Bonds7

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

2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane (PubChem CID 62967511) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane.

Molecular Properties

Compound Name2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane
PubChem CID62967511
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC Name2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane
SMILESCOC(CNS(=O)(=O)N(C)C(C)C)OC
InChIInChI=1S/C8H20N2O4S/c1-7(2)10(3)15(11,12)9-6-8(13-4)14-5/h7-9H,6H2,1-5H3
InChIKeyNTPWPTJPKXRSNR-UHFFFAOYSA-N
XLogP-0.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-0.22
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-dimethoxyethylsulfamoyl(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-dimethoxyethylsulfamoyl(methyl)amino]propane?
The IUPAC name of 2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane (CID 62967511) is 2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane.
What is the SMILES notation for 2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane?
The canonical SMILES for 2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane is COC(CNS(=O)(=O)N(C)C(C)C)OC.
What is the InChIKey of 2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane?
The InChIKey is NTPWPTJPKXRSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c1-7(2)10(3)15(11,12)9-6-8(13-4)14-5/h7-9H,6H2,1-5H3.
What are the key properties of 2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane?
2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane has a molecular weight of 240.32 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propane is sourced from PubChem (CID 62967511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).