2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride

C10H24ClNO6S2 — CID 24837998

IUPAC2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride
SMILESCCCS(=O)(=O)OCCNCCOS(=O)(=O)CCC.Cl
InChIInChI=1S/C10H23NO6S2.ClH/c1-3-9-18(12,13)16-7-5-11-6-8-17-19(14,15)10-4-2;/h11H,3-10H2,1-2H3;1H
InChIKeySLHHCEHWXJHGBS-UHFFFAOYSA-N
MW353.89 g/mol
LogP0.51
Rot. Bonds12

About 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride

2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride (PubChem CID 24837998) has the molecular formula C10H24ClNO6S2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride.

Molecular Properties

Compound Name2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride
PubChem CID24837998
Molecular FormulaC10H24ClNO6S2
Molecular Weight353.89 g/mol
Exact Mass353.07
IUPAC Name2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride
SMILESCCCS(=O)(=O)OCCNCCOS(=O)(=O)CCC.Cl
InChIInChI=1S/C10H23NO6S2.ClH/c1-3-9-18(12,13)16-7-5-11-6-8-17-19(14,15)10-4-2;/h11H,3-10H2,1-2H3;1H
InChIKeySLHHCEHWXJHGBS-UHFFFAOYSA-N
XLogP0.51
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride?
The IUPAC name of 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride (CID 24837998) is 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride.
What is the SMILES notation for 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride?
The canonical SMILES for 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride is CCCS(=O)(=O)OCCNCCOS(=O)(=O)CCC.Cl.
What is the InChIKey of 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride?
The InChIKey is SLHHCEHWXJHGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO6S2.ClH/c1-3-9-18(12,13)16-7-5-11-6-8-17-19(14,15)10-4-2;/h11H,3-10H2,1-2H3;1H.
What are the key properties of 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride?
2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 0.51, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfonyloxyethylamino)ethyl propane-1-sulfonate;hydrochloride is sourced from PubChem (CID 24837998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).