azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate

C7H22N2O5S — CID 174777651

IUPACazane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate
SMILESCCC(O)OS(=O)(=O)OC.CN(C)C.N
InChIInChI=1S/C4H10O5S.C3H9N.H3N/c1-3-4(5)9-10(6,7)8-2;1-4(2)3;/h4-5H,3H2,1-2H3;1-3H3;1H3
InChIKeyCWDOFJVZOYWQMS-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.04
Rot. Bonds4

About azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate

azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate (PubChem CID 174777651) has the molecular formula C7H22N2O5S and a molecular weight of 246.33 g/mol. Its IUPAC name is azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate.

Molecular Properties

Compound Nameazane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate
PubChem CID174777651
Molecular FormulaC7H22N2O5S
Molecular Weight246.33 g/mol
Exact Mass246.12
IUPAC Nameazane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate
SMILESCCC(O)OS(=O)(=O)OC.CN(C)C.N
InChIInChI=1S/C4H10O5S.C3H9N.H3N/c1-3-4(5)9-10(6,7)8-2;1-4(2)3;/h4-5H,3H2,1-2H3;1-3H3;1H3
InChIKeyCWDOFJVZOYWQMS-UHFFFAOYSA-N
XLogP-0.04
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate?
The IUPAC name of azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate (CID 174777651) is azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate.
What is the SMILES notation for azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate?
The canonical SMILES for azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate is CCC(O)OS(=O)(=O)OC.CN(C)C.N.
What is the InChIKey of azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate?
The InChIKey is CWDOFJVZOYWQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5S.C3H9N.H3N/c1-3-4(5)9-10(6,7)8-2;1-4(2)3;/h4-5H,3H2,1-2H3;1-3H3;1H3.
What are the key properties of azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate?
azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate has a molecular weight of 246.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate is sourced from PubChem (CID 174777651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).