bis(2-ethenylsulfonylethyl)azanium chloride

C8H16ClNO4S2 — CID 173330031

IUPACbis(2-ethenylsulfonylethyl)azanium chloride
SMILESC=CS(=O)(=O)CC[NH2+]CCS(=O)(=O)C=C.[Cl-]
InChIInChI=1S/C8H15NO4S2.ClH/c1-3-14(10,11)7-5-9-6-8-15(12,13)4-2;/h3-4,9H,1-2,5-8H2;1H
InChIKeyCHYCJKKWJXHSCI-UHFFFAOYSA-N
MW289.81 g/mol
LogP-4.33
Rot. Bonds8

About bis(2-ethenylsulfonylethyl)azanium chloride

bis(2-ethenylsulfonylethyl)azanium chloride (PubChem CID 173330031) has the molecular formula C8H16ClNO4S2 and a molecular weight of 289.81 g/mol. Its IUPAC name is bis(2-ethenylsulfonylethyl)azanium chloride.

Molecular Properties

Compound Namebis(2-ethenylsulfonylethyl)azanium chloride
PubChem CID173330031
Molecular FormulaC8H16ClNO4S2
Molecular Weight289.81 g/mol
Exact Mass289.02
IUPAC Namebis(2-ethenylsulfonylethyl)azanium chloride
SMILESC=CS(=O)(=O)CC[NH2+]CCS(=O)(=O)C=C.[Cl-]
InChIInChI=1S/C8H15NO4S2.ClH/c1-3-14(10,11)7-5-9-6-8-15(12,13)4-2;/h3-4,9H,1-2,5-8H2;1H
InChIKeyCHYCJKKWJXHSCI-UHFFFAOYSA-N
XLogP-4.33
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 5-4.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(2-ethenylsulfonylethyl)azanium chloride?
The IUPAC name of bis(2-ethenylsulfonylethyl)azanium chloride (CID 173330031) is bis(2-ethenylsulfonylethyl)azanium chloride.
What is the SMILES notation for bis(2-ethenylsulfonylethyl)azanium chloride?
The canonical SMILES for bis(2-ethenylsulfonylethyl)azanium chloride is C=CS(=O)(=O)CC[NH2+]CCS(=O)(=O)C=C.[Cl-].
What is the InChIKey of bis(2-ethenylsulfonylethyl)azanium chloride?
The InChIKey is CHYCJKKWJXHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S2.ClH/c1-3-14(10,11)7-5-9-6-8-15(12,13)4-2;/h3-4,9H,1-2,5-8H2;1H.
What are the key properties of bis(2-ethenylsulfonylethyl)azanium chloride?
bis(2-ethenylsulfonylethyl)azanium chloride has a molecular weight of 289.81 g/mol, XLogP of -4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethenylsulfonylethyl)azanium chloride is sourced from PubChem (CID 173330031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).