3-methylsulfanylazetidine

C4H9NS — CID 54026681

IUPAC3-methylsulfanylazetidine
SMILESCSC1CNC1
InChIInChI=1S/C4H9NS/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyUCCIFFGORAXIFG-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.32
Rot. Bonds1

About 3-methylsulfanylazetidine

3-methylsulfanylazetidine (PubChem CID 54026681) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is 3-methylsulfanylazetidine.

Molecular Properties

Compound Name3-methylsulfanylazetidine
PubChem CID54026681
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name3-methylsulfanylazetidine
SMILESCSC1CNC1
InChIInChI=1S/C4H9NS/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyUCCIFFGORAXIFG-UHFFFAOYSA-N
XLogP0.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylazetidine?
The IUPAC name of 3-methylsulfanylazetidine (CID 54026681) is 3-methylsulfanylazetidine.
What is the SMILES notation for 3-methylsulfanylazetidine?
The canonical SMILES for 3-methylsulfanylazetidine is CSC1CNC1.
What is the InChIKey of 3-methylsulfanylazetidine?
The InChIKey is UCCIFFGORAXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3.
What are the key properties of 3-methylsulfanylazetidine?
3-methylsulfanylazetidine has a molecular weight of 103.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylazetidine is sourced from PubChem (CID 54026681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).