bis(dimethylamino)methyl methyl sulfate

C6H16N2O4S — CID 15031881

IUPACbis(dimethylamino)methyl methyl sulfate
SMILESCOS(=O)(=O)OC(N(C)C)N(C)C
InChIInChI=1S/C6H16N2O4S/c1-7(2)6(8(3)4)12-13(9,10)11-5/h6H,1-5H3
InChIKeyXRNVLFAGAQISOV-UHFFFAOYSA-N
MW212.27 g/mol
LogP-0.70
Rot. Bonds5

About bis(dimethylamino)methyl methyl sulfate

bis(dimethylamino)methyl methyl sulfate (PubChem CID 15031881) has the molecular formula C6H16N2O4S and a molecular weight of 212.27 g/mol. Its IUPAC name is bis(dimethylamino)methyl methyl sulfate.

Molecular Properties

Compound Namebis(dimethylamino)methyl methyl sulfate
PubChem CID15031881
Molecular FormulaC6H16N2O4S
Molecular Weight212.27 g/mol
Exact Mass212.08
IUPAC Namebis(dimethylamino)methyl methyl sulfate
SMILESCOS(=O)(=O)OC(N(C)C)N(C)C
InChIInChI=1S/C6H16N2O4S/c1-7(2)6(8(3)4)12-13(9,10)11-5/h6H,1-5H3
InChIKeyXRNVLFAGAQISOV-UHFFFAOYSA-N
XLogP-0.70
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis(dimethylamino)methyl methyl sulfate?
The IUPAC name of bis(dimethylamino)methyl methyl sulfate (CID 15031881) is bis(dimethylamino)methyl methyl sulfate.
What is the SMILES notation for bis(dimethylamino)methyl methyl sulfate?
The canonical SMILES for bis(dimethylamino)methyl methyl sulfate is COS(=O)(=O)OC(N(C)C)N(C)C.
What is the InChIKey of bis(dimethylamino)methyl methyl sulfate?
The InChIKey is XRNVLFAGAQISOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S/c1-7(2)6(8(3)4)12-13(9,10)11-5/h6H,1-5H3.
What are the key properties of bis(dimethylamino)methyl methyl sulfate?
bis(dimethylamino)methyl methyl sulfate has a molecular weight of 212.27 g/mol, XLogP of -0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylamino)methyl methyl sulfate is sourced from PubChem (CID 15031881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).