2-(2-methoxyethylsulfanyl)-N-methylethanamine

C6H15NOS — CID 61385824

IUPAC2-(2-methoxyethylsulfanyl)-N-methylethanamine
SMILESCNCCSCCOC
InChIInChI=1S/C6H15NOS/c1-7-3-5-9-6-4-8-2/h7H,3-6H2,1-2H3
InChIKeyQCPYBCYLTUFHCR-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.59
Rot. Bonds6

About 2-(2-methoxyethylsulfanyl)-N-methylethanamine

2-(2-methoxyethylsulfanyl)-N-methylethanamine (PubChem CID 61385824) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-methylethanamine
PubChem CID61385824
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-(2-methoxyethylsulfanyl)-N-methylethanamine
SMILESCNCCSCCOC
InChIInChI=1S/C6H15NOS/c1-7-3-5-9-6-4-8-2/h7H,3-6H2,1-2H3
InChIKeyQCPYBCYLTUFHCR-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.59
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-(2-methoxyethylsulfanyl)-N-methylethanamine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-methylethanamine (CID 61385824) is 2-(2-methoxyethylsulfanyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-methylethanamine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-methylethanamine is CNCCSCCOC.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-methylethanamine?
The InChIKey is QCPYBCYLTUFHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-7-3-5-9-6-4-8-2/h7H,3-6H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-methylethanamine?
2-(2-methoxyethylsulfanyl)-N-methylethanamine has a molecular weight of 149.26 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-methylethanamine is sourced from PubChem (CID 61385824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).