3-(thian-4-yl)azetidine

C8H15NS — CID 83815572

IUPAC3-(thian-4-yl)azetidine
SMILESC1CC(C2CNC2)CCS1
InChIInChI=1S/C8H15NS/c1-3-10-4-2-7(1)8-5-9-6-8/h7-9H,1-6H2
InChIKeySOUIJDAKBSCBLR-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.35
Rot. Bonds1

About 3-(thian-4-yl)azetidine

3-(thian-4-yl)azetidine (PubChem CID 83815572) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-(thian-4-yl)azetidine.

Molecular Properties

Compound Name3-(thian-4-yl)azetidine
PubChem CID83815572
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-(thian-4-yl)azetidine
SMILESC1CC(C2CNC2)CCS1
InChIInChI=1S/C8H15NS/c1-3-10-4-2-7(1)8-5-9-6-8/h7-9H,1-6H2
InChIKeySOUIJDAKBSCBLR-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(thian-4-yl)azetidine 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-(thian-4-yl)azetidine?
The IUPAC name of 3-(thian-4-yl)azetidine (CID 83815572) is 3-(thian-4-yl)azetidine.
What is the SMILES notation for 3-(thian-4-yl)azetidine?
The canonical SMILES for 3-(thian-4-yl)azetidine is C1CC(C2CNC2)CCS1.
What is the InChIKey of 3-(thian-4-yl)azetidine?
The InChIKey is SOUIJDAKBSCBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-10-4-2-7(1)8-5-9-6-8/h7-9H,1-6H2.
What are the key properties of 3-(thian-4-yl)azetidine?
3-(thian-4-yl)azetidine has a molecular weight of 157.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-4-yl)azetidine is sourced from PubChem (CID 83815572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).