3-methylsulfinylazetidine

C4H9NOS — CID 130526846

IUPAC3-methylsulfinylazetidine
SMILESCS(=O)C1CNC1
InChIInChI=1S/C4H9NOS/c1-7(6)4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyLJILJXHAHZLBPY-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.66
Rot. Bonds1

About 3-methylsulfinylazetidine

3-methylsulfinylazetidine (PubChem CID 130526846) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 3-methylsulfinylazetidine.

Molecular Properties

Compound Name3-methylsulfinylazetidine
PubChem CID130526846
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name3-methylsulfinylazetidine
SMILESCS(=O)C1CNC1
InChIInChI=1S/C4H9NOS/c1-7(6)4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyLJILJXHAHZLBPY-UHFFFAOYSA-N
XLogP-0.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylazetidine?
The IUPAC name of 3-methylsulfinylazetidine (CID 130526846) is 3-methylsulfinylazetidine.
What is the SMILES notation for 3-methylsulfinylazetidine?
The canonical SMILES for 3-methylsulfinylazetidine is CS(=O)C1CNC1.
What is the InChIKey of 3-methylsulfinylazetidine?
The InChIKey is LJILJXHAHZLBPY-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-methylsulfinylazetidine?
3-methylsulfinylazetidine has a molecular weight of 119.19 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylazetidine is sourced from PubChem (CID 130526846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).