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

C10H19NOS — CID 84733861

IUPAC3-[2-(azetidin-1-yl)ethyl]thian-3-ol
SMILESOC1(CCN2CCC2)CCCSC1
InChIInChI=1S/C10H19NOS/c12-10(3-1-8-13-9-10)4-7-11-5-2-6-11/h12H,1-9H2
InChIKeyTWJIZSFUZDYYHC-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.34
Rot. Bonds3

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

3-[2-(azetidin-1-yl)ethyl]thian-3-ol (PubChem CID 84733861) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)ethyl]thian-3-ol.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)ethyl]thian-3-ol
PubChem CID84733861
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-[2-(azetidin-1-yl)ethyl]thian-3-ol
SMILESOC1(CCN2CCC2)CCCSC1
InChIInChI=1S/C10H19NOS/c12-10(3-1-8-13-9-10)4-7-11-5-2-6-11/h12H,1-9H2
InChIKeyTWJIZSFUZDYYHC-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(azetidin-1-yl)ethyl]thian-3-ol 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-[2-(azetidin-1-yl)ethyl]thian-3-ol?
The IUPAC name of 3-[2-(azetidin-1-yl)ethyl]thian-3-ol (CID 84733861) is 3-[2-(azetidin-1-yl)ethyl]thian-3-ol.
What is the SMILES notation for 3-[2-(azetidin-1-yl)ethyl]thian-3-ol?
The canonical SMILES for 3-[2-(azetidin-1-yl)ethyl]thian-3-ol is OC1(CCN2CCC2)CCCSC1.
What is the InChIKey of 3-[2-(azetidin-1-yl)ethyl]thian-3-ol?
The InChIKey is TWJIZSFUZDYYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-10(3-1-8-13-9-10)4-7-11-5-2-6-11/h12H,1-9H2.
What are the key properties of 3-[2-(azetidin-1-yl)ethyl]thian-3-ol?
3-[2-(azetidin-1-yl)ethyl]thian-3-ol has a molecular weight of 201.33 g/mol, XLogP of 1.34, 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]thian-3-ol is sourced from PubChem (CID 84733861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).