2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine

C13H19NOS — CID 116870952

IUPAC2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine
SMILESCc1ccsc1C1(C2CCCCN2)COC1
InChIInChI=1S/C13H19NOS/c1-10-5-7-16-12(10)13(8-15-9-13)11-4-2-3-6-14-11/h5,7,11,14H,2-4,6,8-9H2,1H3
InChIKeyZDBOHKRUKLLIQI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.47
Rot. Bonds2

About 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine

2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine (PubChem CID 116870952) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine.

Molecular Properties

Compound Name2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine
PubChem CID116870952
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine
SMILESCc1ccsc1C1(C2CCCCN2)COC1
InChIInChI=1S/C13H19NOS/c1-10-5-7-16-12(10)13(8-15-9-13)11-4-2-3-6-14-11/h5,7,11,14H,2-4,6,8-9H2,1H3
InChIKeyZDBOHKRUKLLIQI-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine 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 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine?
The IUPAC name of 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine (CID 116870952) is 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine.
What is the SMILES notation for 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine?
The canonical SMILES for 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine is Cc1ccsc1C1(C2CCCCN2)COC1.
What is the InChIKey of 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine?
The InChIKey is ZDBOHKRUKLLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-5-7-16-12(10)13(8-15-9-13)11-4-2-3-6-14-11/h5,7,11,14H,2-4,6,8-9H2,1H3.
What are the key properties of 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine?
2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine has a molecular weight of 237.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine is sourced from PubChem (CID 116870952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).