2-(3-methoxypropylsulfanyl)-N-methylethanamine

C7H17NOS — CID 63857943

IUPAC2-(3-methoxypropylsulfanyl)-N-methylethanamine
SMILESCNCCSCCCOC
InChIInChI=1S/C7H17NOS/c1-8-4-7-10-6-3-5-9-2/h8H,3-7H2,1-2H3
InChIKeyOQJOEVDLCKRWCO-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.98
Rot. Bonds7

About 2-(3-methoxypropylsulfanyl)-N-methylethanamine

2-(3-methoxypropylsulfanyl)-N-methylethanamine (PubChem CID 63857943) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfanyl)-N-methylethanamine
PubChem CID63857943
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-(3-methoxypropylsulfanyl)-N-methylethanamine
SMILESCNCCSCCCOC
InChIInChI=1S/C7H17NOS/c1-8-4-7-10-6-3-5-9-2/h8H,3-7H2,1-2H3
InChIKeyOQJOEVDLCKRWCO-UHFFFAOYSA-N
XLogP0.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropylsulfanyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfanyl)-N-methylethanamine?
The IUPAC name of 2-(3-methoxypropylsulfanyl)-N-methylethanamine (CID 63857943) is 2-(3-methoxypropylsulfanyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-methoxypropylsulfanyl)-N-methylethanamine?
The canonical SMILES for 2-(3-methoxypropylsulfanyl)-N-methylethanamine is CNCCSCCCOC.
What is the InChIKey of 2-(3-methoxypropylsulfanyl)-N-methylethanamine?
The InChIKey is OQJOEVDLCKRWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-8-4-7-10-6-3-5-9-2/h8H,3-7H2,1-2H3.
What are the key properties of 2-(3-methoxypropylsulfanyl)-N-methylethanamine?
2-(3-methoxypropylsulfanyl)-N-methylethanamine has a molecular weight of 163.29 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfanyl)-N-methylethanamine is sourced from PubChem (CID 63857943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).