3-(azetidin-1-ylmethyl)thiolan-3-ol

C8H15NOS — CID 84732029

IUPAC3-(azetidin-1-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCC2)CCSC1
InChIInChI=1S/C8H15NOS/c10-8(2-5-11-7-8)6-9-3-1-4-9/h10H,1-7H2
InChIKeyOIDWXGROKZCTQG-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.56
Rot. Bonds2

About 3-(azetidin-1-ylmethyl)thiolan-3-ol

3-(azetidin-1-ylmethyl)thiolan-3-ol (PubChem CID 84732029) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(azetidin-1-ylmethyl)thiolan-3-ol
PubChem CID84732029
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name3-(azetidin-1-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCC2)CCSC1
InChIInChI=1S/C8H15NOS/c10-8(2-5-11-7-8)6-9-3-1-4-9/h10H,1-7H2
InChIKeyOIDWXGROKZCTQG-UHFFFAOYSA-N
XLogP0.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethyl)thiolan-3-ol?
The IUPAC name of 3-(azetidin-1-ylmethyl)thiolan-3-ol (CID 84732029) is 3-(azetidin-1-ylmethyl)thiolan-3-ol.
What is the SMILES notation for 3-(azetidin-1-ylmethyl)thiolan-3-ol?
The canonical SMILES for 3-(azetidin-1-ylmethyl)thiolan-3-ol is OC1(CN2CCC2)CCSC1.
What is the InChIKey of 3-(azetidin-1-ylmethyl)thiolan-3-ol?
The InChIKey is OIDWXGROKZCTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c10-8(2-5-11-7-8)6-9-3-1-4-9/h10H,1-7H2.
What are the key properties of 3-(azetidin-1-ylmethyl)thiolan-3-ol?
3-(azetidin-1-ylmethyl)thiolan-3-ol has a molecular weight of 173.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethyl)thiolan-3-ol is sourced from PubChem (CID 84732029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).