1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane

C6H14NO4S- — CID 57259093

IUPAC1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane
SMILESCOCCN(CCOC)S(=O)[O-]
InChIInChI=1S/C6H15NO4S/c1-10-5-3-7(12(8)9)4-6-11-2/h3-6H2,1-2H3,(H,8,9)/p-1
InChIKeyWVJZBIPYVUSQPZ-UHFFFAOYSA-M
MW196.25 g/mol
LogP-0.62
Rot. Bonds7

About 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane

1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane (PubChem CID 57259093) has the molecular formula C6H14NO4S- and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane
PubChem CID57259093
Molecular FormulaC6H14NO4S-
Molecular Weight196.25 g/mol
Exact Mass196.06
IUPAC Name1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane
SMILESCOCCN(CCOC)S(=O)[O-]
InChIInChI=1S/C6H15NO4S/c1-10-5-3-7(12(8)9)4-6-11-2/h3-6H2,1-2H3,(H,8,9)/p-1
InChIKeyWVJZBIPYVUSQPZ-UHFFFAOYSA-M
XLogP-0.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane?
The IUPAC name of 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane (CID 57259093) is 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane.
What is the SMILES notation for 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane?
The canonical SMILES for 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane is COCCN(CCOC)S(=O)[O-].
What is the InChIKey of 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane?
The InChIKey is WVJZBIPYVUSQPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO4S/c1-10-5-3-7(12(8)9)4-6-11-2/h3-6H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane?
1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane has a molecular weight of 196.25 g/mol, XLogP of -0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[2-methoxyethyl(sulfinato)amino]ethane is sourced from PubChem (CID 57259093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).