1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane

C6H14NO4S- — CID 23002746

IUPAC1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane
SMILESCCOCCOCCNS(=O)[O-]
InChIInChI=1S/C6H15NO4S/c1-2-10-5-6-11-4-3-7-12(8)9/h7H,2-6H2,1H3,(H,8,9)/p-1
InChIKeyJJSRDKNVGSVOTA-UHFFFAOYSA-M
MW196.25 g/mol
LogP-0.58
Rot. Bonds8

About 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane

1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane (PubChem CID 23002746) has the molecular formula C6H14NO4S- and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane
PubChem CID23002746
Molecular FormulaC6H14NO4S-
Molecular Weight196.25 g/mol
Exact Mass196.06
IUPAC Name1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane
SMILESCCOCCOCCNS(=O)[O-]
InChIInChI=1S/C6H15NO4S/c1-2-10-5-6-11-4-3-7-12(8)9/h7H,2-6H2,1H3,(H,8,9)/p-1
InChIKeyJJSRDKNVGSVOTA-UHFFFAOYSA-M
XLogP-0.58
TPSA70.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane?
The IUPAC name of 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane (CID 23002746) is 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane is CCOCCOCCNS(=O)[O-].
What is the InChIKey of 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane?
The InChIKey is JJSRDKNVGSVOTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO4S/c1-2-10-5-6-11-4-3-7-12(8)9/h7H,2-6H2,1H3,(H,8,9)/p-1.
What are the key properties of 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane?
1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane has a molecular weight of 196.25 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-2-(sulfinatoamino)ethane is sourced from PubChem (CID 23002746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).