3-methoxy-3-methyl-1-methylsulfanylazetidine

C6H13NOS — CID 166960473

IUPAC3-methoxy-3-methyl-1-methylsulfanylazetidine
SMILESCOC1(C)CN(SC)C1
InChIInChI=1S/C6H13NOS/c1-6(8-2)4-7(5-6)9-3/h4-5H2,1-3H3
InChIKeyJMPMZLXINCEJGL-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.99
Rot. Bonds2

About 3-methoxy-3-methyl-1-methylsulfanylazetidine

3-methoxy-3-methyl-1-methylsulfanylazetidine (PubChem CID 166960473) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-methylsulfanylazetidine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-methylsulfanylazetidine
PubChem CID166960473
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-methoxy-3-methyl-1-methylsulfanylazetidine
SMILESCOC1(C)CN(SC)C1
InChIInChI=1S/C6H13NOS/c1-6(8-2)4-7(5-6)9-3/h4-5H2,1-3H3
InChIKeyJMPMZLXINCEJGL-UHFFFAOYSA-N
XLogP0.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-3-methyl-1-methylsulfanylazetidine 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 3-methoxy-3-methyl-1-methylsulfanylazetidine?
The IUPAC name of 3-methoxy-3-methyl-1-methylsulfanylazetidine (CID 166960473) is 3-methoxy-3-methyl-1-methylsulfanylazetidine.
What is the SMILES notation for 3-methoxy-3-methyl-1-methylsulfanylazetidine?
The canonical SMILES for 3-methoxy-3-methyl-1-methylsulfanylazetidine is COC1(C)CN(SC)C1.
What is the InChIKey of 3-methoxy-3-methyl-1-methylsulfanylazetidine?
The InChIKey is JMPMZLXINCEJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(8-2)4-7(5-6)9-3/h4-5H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-methylsulfanylazetidine?
3-methoxy-3-methyl-1-methylsulfanylazetidine has a molecular weight of 147.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-methylsulfanylazetidine is sourced from PubChem (CID 166960473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).