2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine

C6H16N2O2S — CID 18447058

IUPAC2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine
SMILESCOCCNSNCCOC
InChIInChI=1S/C6H16N2O2S/c1-9-5-3-7-11-8-4-6-10-2/h7-8H,3-6H2,1-2H3
InChIKeyKGZVHNZGROBQBD-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.02
Rot. Bonds8

About 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine

2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine (PubChem CID 18447058) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine
PubChem CID18447058
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine
SMILESCOCCNSNCCOC
InChIInChI=1S/C6H16N2O2S/c1-9-5-3-7-11-8-4-6-10-2/h7-8H,3-6H2,1-2H3
InChIKeyKGZVHNZGROBQBD-UHFFFAOYSA-N
XLogP0.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine?
The IUPAC name of 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine (CID 18447058) is 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine?
The canonical SMILES for 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine is COCCNSNCCOC.
What is the InChIKey of 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine?
The InChIKey is KGZVHNZGROBQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-9-5-3-7-11-8-4-6-10-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine?
2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine has a molecular weight of 180.27 g/mol, XLogP of 0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethylamino)sulfanylethanamine is sourced from PubChem (CID 18447058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).