1-methylsulfinylazetidine

C4H9NOS — CID 154986710

IUPAC1-methylsulfinylazetidine
SMILESCS(=O)N1CCC1
InChIInChI=1S/C4H9NOS/c1-7(6)5-3-2-4-5/h2-4H2,1H3
InChIKeyBUCUPFKKBJAZSZ-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.01
Rot. Bonds1

About 1-methylsulfinylazetidine

1-methylsulfinylazetidine (PubChem CID 154986710) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 1-methylsulfinylazetidine.

Molecular Properties

Compound Name1-methylsulfinylazetidine
PubChem CID154986710
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name1-methylsulfinylazetidine
SMILESCS(=O)N1CCC1
InChIInChI=1S/C4H9NOS/c1-7(6)5-3-2-4-5/h2-4H2,1H3
InChIKeyBUCUPFKKBJAZSZ-UHFFFAOYSA-N
XLogP-0.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinylazetidine?
The IUPAC name of 1-methylsulfinylazetidine (CID 154986710) is 1-methylsulfinylazetidine.
What is the SMILES notation for 1-methylsulfinylazetidine?
The canonical SMILES for 1-methylsulfinylazetidine is CS(=O)N1CCC1.
What is the InChIKey of 1-methylsulfinylazetidine?
The InChIKey is BUCUPFKKBJAZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-7(6)5-3-2-4-5/h2-4H2,1H3.
What are the key properties of 1-methylsulfinylazetidine?
1-methylsulfinylazetidine has a molecular weight of 119.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylazetidine is sourced from PubChem (CID 154986710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).