2-(dimethylsulfamoylamino)-1,1-diethoxyethane

C8H20N2O4S — CID 79547194

IUPAC2-(dimethylsulfamoylamino)-1,1-diethoxyethane
SMILESCCOC(CNS(=O)(=O)N(C)C)OCC
InChIInChI=1S/C8H20N2O4S/c1-5-13-8(14-6-2)7-9-15(11,12)10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyKNHDLUNZLKBNFB-UHFFFAOYSA-N
MW240.32 g/mol
LogP-0.22
Rot. Bonds8

About 2-(dimethylsulfamoylamino)-1,1-diethoxyethane

2-(dimethylsulfamoylamino)-1,1-diethoxyethane (PubChem CID 79547194) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-1,1-diethoxyethane.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-1,1-diethoxyethane
PubChem CID79547194
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC Name2-(dimethylsulfamoylamino)-1,1-diethoxyethane
SMILESCCOC(CNS(=O)(=O)N(C)C)OCC
InChIInChI=1S/C8H20N2O4S/c1-5-13-8(14-6-2)7-9-15(11,12)10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyKNHDLUNZLKBNFB-UHFFFAOYSA-N
XLogP-0.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-(dimethylsulfamoylamino)-1,1-diethoxyethane 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-(dimethylsulfamoylamino)-1,1-diethoxyethane?
The IUPAC name of 2-(dimethylsulfamoylamino)-1,1-diethoxyethane (CID 79547194) is 2-(dimethylsulfamoylamino)-1,1-diethoxyethane.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-1,1-diethoxyethane?
The canonical SMILES for 2-(dimethylsulfamoylamino)-1,1-diethoxyethane is CCOC(CNS(=O)(=O)N(C)C)OCC.
What is the InChIKey of 2-(dimethylsulfamoylamino)-1,1-diethoxyethane?
The InChIKey is KNHDLUNZLKBNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c1-5-13-8(14-6-2)7-9-15(11,12)10(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(dimethylsulfamoylamino)-1,1-diethoxyethane?
2-(dimethylsulfamoylamino)-1,1-diethoxyethane has a molecular weight of 240.32 g/mol, XLogP of -0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-1,1-diethoxyethane is sourced from PubChem (CID 79547194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).