3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol

C9H17NOS — CID 84732874

IUPAC3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol
SMILESOC1(CCN2CCC2)CCSC1
InChIInChI=1S/C9H17NOS/c11-9(3-7-12-8-9)2-6-10-4-1-5-10/h11H,1-8H2
InChIKeyIZCJWNFXSPOESJ-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.95
Rot. Bonds3

About 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol

3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol (PubChem CID 84732874) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol
PubChem CID84732874
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol
SMILESOC1(CCN2CCC2)CCSC1
InChIInChI=1S/C9H17NOS/c11-9(3-7-12-8-9)2-6-10-4-1-5-10/h11H,1-8H2
InChIKeyIZCJWNFXSPOESJ-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol?
The IUPAC name of 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol (CID 84732874) is 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol.
What is the SMILES notation for 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol?
The canonical SMILES for 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol is OC1(CCN2CCC2)CCSC1.
What is the InChIKey of 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol?
The InChIKey is IZCJWNFXSPOESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c11-9(3-7-12-8-9)2-6-10-4-1-5-10/h11H,1-8H2.
What are the key properties of 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol?
3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol has a molecular weight of 187.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)ethyl]thiolan-3-ol is sourced from PubChem (CID 84732874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).