3-(ethylsulfinylmethyl)azetidine

C6H13NOS — CID 81202717

IUPAC3-(ethylsulfinylmethyl)azetidine
SMILESCCS(=O)CC1CNC1
InChIInChI=1S/C6H13NOS/c1-2-9(8)5-6-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyGZPDRIYOGCEBSN-UHFFFAOYSA-N
MW147.24 g/mol
LogP-0.03
Rot. Bonds3

About 3-(ethylsulfinylmethyl)azetidine

3-(ethylsulfinylmethyl)azetidine (PubChem CID 81202717) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-(ethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(ethylsulfinylmethyl)azetidine
PubChem CID81202717
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-(ethylsulfinylmethyl)azetidine
SMILESCCS(=O)CC1CNC1
InChIInChI=1S/C6H13NOS/c1-2-9(8)5-6-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyGZPDRIYOGCEBSN-UHFFFAOYSA-N
XLogP-0.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(ethylsulfinylmethyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(ethylsulfinylmethyl)azetidine (CID 81202717) is 3-(ethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(ethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(ethylsulfinylmethyl)azetidine is CCS(=O)CC1CNC1.
What is the InChIKey of 3-(ethylsulfinylmethyl)azetidine?
The InChIKey is GZPDRIYOGCEBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-9(8)5-6-3-7-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-(ethylsulfinylmethyl)azetidine?
3-(ethylsulfinylmethyl)azetidine has a molecular weight of 147.24 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfinylmethyl)azetidine is sourced from PubChem (CID 81202717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).