2-(dimethylsulfamoylamino)-1,1-dimethoxyethane

C6H16N2O4S — CID 62968212

IUPAC2-(dimethylsulfamoylamino)-1,1-dimethoxyethane
SMILESCOC(CNS(=O)(=O)N(C)C)OC
InChIInChI=1S/C6H16N2O4S/c1-8(2)13(9,10)7-5-6(11-3)12-4/h6-7H,5H2,1-4H3
InChIKeyCTONPRQOFFOJJV-UHFFFAOYSA-N
MW212.27 g/mol
LogP-1.00
Rot. Bonds6

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

2-(dimethylsulfamoylamino)-1,1-dimethoxyethane (PubChem CID 62968212) has the molecular formula C6H16N2O4S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-1,1-dimethoxyethane.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-1,1-dimethoxyethane
PubChem CID62968212
Molecular FormulaC6H16N2O4S
Molecular Weight212.27 g/mol
Exact Mass212.08
IUPAC Name2-(dimethylsulfamoylamino)-1,1-dimethoxyethane
SMILESCOC(CNS(=O)(=O)N(C)C)OC
InChIInChI=1S/C6H16N2O4S/c1-8(2)13(9,10)7-5-6(11-3)12-4/h6-7H,5H2,1-4H3
InChIKeyCTONPRQOFFOJJV-UHFFFAOYSA-N
XLogP-1.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-1,1-dimethoxyethane?
The IUPAC name of 2-(dimethylsulfamoylamino)-1,1-dimethoxyethane (CID 62968212) is 2-(dimethylsulfamoylamino)-1,1-dimethoxyethane.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-1,1-dimethoxyethane?
The canonical SMILES for 2-(dimethylsulfamoylamino)-1,1-dimethoxyethane is COC(CNS(=O)(=O)N(C)C)OC.
What is the InChIKey of 2-(dimethylsulfamoylamino)-1,1-dimethoxyethane?
The InChIKey is CTONPRQOFFOJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S/c1-8(2)13(9,10)7-5-6(11-3)12-4/h6-7H,5H2,1-4H3.
What are the key properties of 2-(dimethylsulfamoylamino)-1,1-dimethoxyethane?
2-(dimethylsulfamoylamino)-1,1-dimethoxyethane has a molecular weight of 212.27 g/mol, XLogP of -1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-1,1-dimethoxyethane is sourced from PubChem (CID 62968212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).