dimethylamino propyl sulfate

C5H13NO4S — CID 165093192

IUPACdimethylamino propyl sulfate
SMILESCCCOS(=O)(=O)ON(C)C
InChIInChI=1S/C5H13NO4S/c1-4-5-9-11(7,8)10-6(2)3/h4-5H2,1-3H3
InChIKeyXBIBFYIYTTUZTD-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.15
Rot. Bonds5

About dimethylamino propyl sulfate

dimethylamino propyl sulfate (PubChem CID 165093192) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is dimethylamino propyl sulfate.

Molecular Properties

Compound Namedimethylamino propyl sulfate
PubChem CID165093192
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Namedimethylamino propyl sulfate
SMILESCCCOS(=O)(=O)ON(C)C
InChIInChI=1S/C5H13NO4S/c1-4-5-9-11(7,8)10-6(2)3/h4-5H2,1-3H3
InChIKeyXBIBFYIYTTUZTD-UHFFFAOYSA-N
XLogP0.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl propyl sulfate;hydrochloride
CID 175489043
2-fluoroethyl propyl sulfate
CID 166171774
propoxysulfonyloxysulfonyl ethanesulfonate
CID 150088008
pentan-3-yl propyl sulfate
CID 174914441
1-ethoxysulfonylsulfonyloxypropane
CID 90767531
dimethylamino hydrogen sulfate
CID 23081915
propyl hydrogen sulfate;hydrate
CID 88639002
ditetracosyl sulfate
CID 101286725
methanamine;propyl hydrogen sulfate
CID 174898654
propyl propane-2-sulfonate
CID 19702370
pentyl undecyl sulfate
CID 174900896
ethanamine;propyl methanesulfonate
CID 91463182

Frequently Asked Questions

What is the IUPAC name of dimethylamino propyl sulfate?
The IUPAC name of dimethylamino propyl sulfate (CID 165093192) is dimethylamino propyl sulfate.
What is the SMILES notation for dimethylamino propyl sulfate?
The canonical SMILES for dimethylamino propyl sulfate is CCCOS(=O)(=O)ON(C)C.
What is the InChIKey of dimethylamino propyl sulfate?
The InChIKey is XBIBFYIYTTUZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c1-4-5-9-11(7,8)10-6(2)3/h4-5H2,1-3H3.
What are the key properties of dimethylamino propyl sulfate?
dimethylamino propyl sulfate has a molecular weight of 183.23 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino propyl sulfate is sourced from PubChem (CID 165093192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).