2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane

C6H17NO2S — CID 87548932

IUPAC2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane
SMILESCOCCNCCOC.S
InChIInChI=1S/C6H15NO2.H2S/c1-8-5-3-7-4-6-9-2;/h7H,3-6H2,1-2H3;1H2
InChIKeySOHPBVGEEHHSJT-UHFFFAOYSA-N
MW167.27 g/mol
LogP-0.02
Rot. Bonds6

About 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane

2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane (PubChem CID 87548932) has the molecular formula C6H17NO2S and a molecular weight of 167.27 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane
PubChem CID87548932
Molecular FormulaC6H17NO2S
Molecular Weight167.27 g/mol
Exact Mass167.10
IUPAC Name2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane
SMILESCOCCNCCOC.S
InChIInChI=1S/C6H15NO2.H2S/c1-8-5-3-7-4-6-9-2;/h7H,3-6H2,1-2H3;1H2
InChIKeySOHPBVGEEHHSJT-UHFFFAOYSA-N
XLogP-0.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane (CID 87548932) is 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane is COCCNCCOC.S.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane?
The InChIKey is SOHPBVGEEHHSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.H2S/c1-8-5-3-7-4-6-9-2;/h7H,3-6H2,1-2H3;1H2.
What are the key properties of 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane?
2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane has a molecular weight of 167.27 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)ethanamine;sulfane is sourced from PubChem (CID 87548932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).