3-(thian-4-yl)piperidine

C10H19NS — CID 82405980

IUPAC3-(thian-4-yl)piperidine
SMILESC1CNCC(C2CCSCC2)C1
InChIInChI=1S/C10H19NS/c1-2-10(8-11-5-1)9-3-6-12-7-4-9/h9-11H,1-8H2
InChIKeyBBXBEFPYZZEFBE-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.13
Rot. Bonds1

About 3-(thian-4-yl)piperidine

3-(thian-4-yl)piperidine (PubChem CID 82405980) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-(thian-4-yl)piperidine.

Molecular Properties

Compound Name3-(thian-4-yl)piperidine
PubChem CID82405980
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-(thian-4-yl)piperidine
SMILESC1CNCC(C2CCSCC2)C1
InChIInChI=1S/C10H19NS/c1-2-10(8-11-5-1)9-3-6-12-7-4-9/h9-11H,1-8H2
InChIKeyBBXBEFPYZZEFBE-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(thian-4-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 3-(thian-4-yl)piperidine?
The IUPAC name of 3-(thian-4-yl)piperidine (CID 82405980) is 3-(thian-4-yl)piperidine.
What is the SMILES notation for 3-(thian-4-yl)piperidine?
The canonical SMILES for 3-(thian-4-yl)piperidine is C1CNCC(C2CCSCC2)C1.
What is the InChIKey of 3-(thian-4-yl)piperidine?
The InChIKey is BBXBEFPYZZEFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-10(8-11-5-1)9-3-6-12-7-4-9/h9-11H,1-8H2.
What are the key properties of 3-(thian-4-yl)piperidine?
3-(thian-4-yl)piperidine has a molecular weight of 185.34 g/mol, XLogP of 2.13, 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)piperidine is sourced from PubChem (CID 82405980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).