3-methylsulfanyloxyazetidine

C4H9NOS — CID 123934218

IUPAC3-methylsulfanyloxyazetidine
SMILESCSOC1CNC1
InChIInChI=1S/C4H9NOS/c1-7-6-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyAXCDVQUSBITXDS-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.25
Rot. Bonds2

About 3-methylsulfanyloxyazetidine

3-methylsulfanyloxyazetidine (PubChem CID 123934218) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 3-methylsulfanyloxyazetidine.

Molecular Properties

Compound Name3-methylsulfanyloxyazetidine
PubChem CID123934218
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name3-methylsulfanyloxyazetidine
SMILESCSOC1CNC1
InChIInChI=1S/C4H9NOS/c1-7-6-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyAXCDVQUSBITXDS-UHFFFAOYSA-N
XLogP0.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyloxyazetidine?
The IUPAC name of 3-methylsulfanyloxyazetidine (CID 123934218) is 3-methylsulfanyloxyazetidine.
What is the SMILES notation for 3-methylsulfanyloxyazetidine?
The canonical SMILES for 3-methylsulfanyloxyazetidine is CSOC1CNC1.
What is the InChIKey of 3-methylsulfanyloxyazetidine?
The InChIKey is AXCDVQUSBITXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-7-6-4-2-5-3-4/h4-5H,2-3H2,1H3.
What are the key properties of 3-methylsulfanyloxyazetidine?
3-methylsulfanyloxyazetidine has a molecular weight of 119.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyloxyazetidine is sourced from PubChem (CID 123934218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).