3-(methylsulfinylmethyl)azetidine

C5H11NOS — CID 81207858

IUPAC3-(methylsulfinylmethyl)azetidine
SMILESCS(=O)CC1CNC1
InChIInChI=1S/C5H11NOS/c1-8(7)4-5-2-6-3-5/h5-6H,2-4H2,1H3
InChIKeyAGBZVWGKUOXAPF-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.42
Rot. Bonds2

About 3-(methylsulfinylmethyl)azetidine

3-(methylsulfinylmethyl)azetidine (PubChem CID 81207858) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)azetidine
PubChem CID81207858
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name3-(methylsulfinylmethyl)azetidine
SMILESCS(=O)CC1CNC1
InChIInChI=1S/C5H11NOS/c1-8(7)4-5-2-6-3-5/h5-6H,2-4H2,1H3
InChIKeyAGBZVWGKUOXAPF-UHFFFAOYSA-N
XLogP-0.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)azetidine?
The IUPAC name of 3-(methylsulfinylmethyl)azetidine (CID 81207858) is 3-(methylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(methylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(methylsulfinylmethyl)azetidine is CS(=O)CC1CNC1.
What is the InChIKey of 3-(methylsulfinylmethyl)azetidine?
The InChIKey is AGBZVWGKUOXAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-8(7)4-5-2-6-3-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-(methylsulfinylmethyl)azetidine?
3-(methylsulfinylmethyl)azetidine has a molecular weight of 133.22 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)azetidine is sourced from PubChem (CID 81207858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).