3,3,5,5-tetramethylpiperidine-4-thione

C9H17NS — CID 171980151

IUPAC3,3,5,5-tetramethylpiperidine-4-thione
SMILESCC1(C)CNCC(C)(C)C1=S
InChIInChI=1S/C9H17NS/c1-8(2)5-10-6-9(3,4)7(8)11/h10H,5-6H2,1-4H3
InChIKeyOENDWYRTWXGXDP-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.01
Rot. Bonds

About 3,3,5,5-tetramethylpiperidine-4-thione

3,3,5,5-tetramethylpiperidine-4-thione (PubChem CID 171980151) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3,3,5,5-tetramethylpiperidine-4-thione.

Molecular Properties

Compound Name3,3,5,5-tetramethylpiperidine-4-thione
PubChem CID171980151
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3,3,5,5-tetramethylpiperidine-4-thione
SMILESCC1(C)CNCC(C)(C)C1=S
InChIInChI=1S/C9H17NS/c1-8(2)5-10-6-9(3,4)7(8)11/h10H,5-6H2,1-4H3
InChIKeyOENDWYRTWXGXDP-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3,3,5,5-tetramethylpiperidine-4-thione 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 3,3,5,5-tetramethylpiperidine-4-thione?
The IUPAC name of 3,3,5,5-tetramethylpiperidine-4-thione (CID 171980151) is 3,3,5,5-tetramethylpiperidine-4-thione.
What is the SMILES notation for 3,3,5,5-tetramethylpiperidine-4-thione?
The canonical SMILES for 3,3,5,5-tetramethylpiperidine-4-thione is CC1(C)CNCC(C)(C)C1=S.
What is the InChIKey of 3,3,5,5-tetramethylpiperidine-4-thione?
The InChIKey is OENDWYRTWXGXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)5-10-6-9(3,4)7(8)11/h10H,5-6H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethylpiperidine-4-thione?
3,3,5,5-tetramethylpiperidine-4-thione has a molecular weight of 171.31 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethylpiperidine-4-thione is sourced from PubChem (CID 171980151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).