3-but-3-enyl-3-methylpiperidine-2-thione

C10H17NS — CID 3004385

IUPAC3-but-3-enyl-3-methylpiperidine-2-thione
SMILESC=CCCC1(C)CCCNC1=S
InChIInChI=1S/C10H17NS/c1-3-4-6-10(2)7-5-8-11-9(10)12/h3H,1,4-8H2,2H3,(H,11,12)
InChIKeyOAAZABZLWGVRIO-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.67
Rot. Bonds3

About 3-but-3-enyl-3-methylpiperidine-2-thione

3-but-3-enyl-3-methylpiperidine-2-thione (PubChem CID 3004385) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-but-3-enyl-3-methylpiperidine-2-thione.

Molecular Properties

Compound Name3-but-3-enyl-3-methylpiperidine-2-thione
PubChem CID3004385
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3-but-3-enyl-3-methylpiperidine-2-thione
SMILESC=CCCC1(C)CCCNC1=S
InChIInChI=1S/C10H17NS/c1-3-4-6-10(2)7-5-8-11-9(10)12/h3H,1,4-8H2,2H3,(H,11,12)
InChIKeyOAAZABZLWGVRIO-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-but-3-enyl-3-methylpiperidine-2-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-but-3-enyl-3-methylpiperidine-2-thione?
The IUPAC name of 3-but-3-enyl-3-methylpiperidine-2-thione (CID 3004385) is 3-but-3-enyl-3-methylpiperidine-2-thione.
What is the SMILES notation for 3-but-3-enyl-3-methylpiperidine-2-thione?
The canonical SMILES for 3-but-3-enyl-3-methylpiperidine-2-thione is C=CCCC1(C)CCCNC1=S.
What is the InChIKey of 3-but-3-enyl-3-methylpiperidine-2-thione?
The InChIKey is OAAZABZLWGVRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-6-10(2)7-5-8-11-9(10)12/h3H,1,4-8H2,2H3,(H,11,12).
What are the key properties of 3-but-3-enyl-3-methylpiperidine-2-thione?
3-but-3-enyl-3-methylpiperidine-2-thione has a molecular weight of 183.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-3-methylpiperidine-2-thione is sourced from PubChem (CID 3004385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).