3-[3-(oxetan-2-yl)thietan-2-yl]azetidine

C9H15NOS — CID 123830145

IUPAC3-[3-(oxetan-2-yl)thietan-2-yl]azetidine
SMILESC1CC(C2CSC2C2CNC2)O1
InChIInChI=1S/C9H15NOS/c1-2-11-8(1)7-5-12-9(7)6-3-10-4-6/h6-10H,1-5H2
InChIKeyKJKCXKXYGDKEHR-UHFFFAOYSA-N
MW185.29 g/mol
LogP0.73
Rot. Bonds2

About 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine

3-[3-(oxetan-2-yl)thietan-2-yl]azetidine (PubChem CID 123830145) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine.

Molecular Properties

Compound Name3-[3-(oxetan-2-yl)thietan-2-yl]azetidine
PubChem CID123830145
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3-[3-(oxetan-2-yl)thietan-2-yl]azetidine
SMILESC1CC(C2CSC2C2CNC2)O1
InChIInChI=1S/C9H15NOS/c1-2-11-8(1)7-5-12-9(7)6-3-10-4-6/h6-10H,1-5H2
InChIKeyKJKCXKXYGDKEHR-UHFFFAOYSA-N
XLogP0.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine?
The IUPAC name of 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine (CID 123830145) is 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine.
What is the SMILES notation for 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine?
The canonical SMILES for 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine is C1CC(C2CSC2C2CNC2)O1.
What is the InChIKey of 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine?
The InChIKey is KJKCXKXYGDKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-2-11-8(1)7-5-12-9(7)6-3-10-4-6/h6-10H,1-5H2.
What are the key properties of 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine?
3-[3-(oxetan-2-yl)thietan-2-yl]azetidine has a molecular weight of 185.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxetan-2-yl)thietan-2-yl]azetidine is sourced from PubChem (CID 123830145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).