(3-oxocyclohexyl) piperidine-1-carbodithioate

C12H19NOS2 — CID 11601317

IUPAC(3-oxocyclohexyl) piperidine-1-carbodithioate
SMILESO=C1CCCC(SC(=S)N2CCCCC2)C1
InChIInChI=1S/C12H19NOS2/c14-10-5-4-6-11(9-10)16-12(15)13-7-2-1-3-8-13/h11H,1-9H2
InChIKeyWFKRMNXOSZYKGU-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.00
Rot. Bonds1

About (3-oxocyclohexyl) piperidine-1-carbodithioate

(3-oxocyclohexyl) piperidine-1-carbodithioate (PubChem CID 11601317) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (3-oxocyclohexyl) piperidine-1-carbodithioate.

Molecular Properties

Compound Name(3-oxocyclohexyl) piperidine-1-carbodithioate
PubChem CID11601317
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC Name(3-oxocyclohexyl) piperidine-1-carbodithioate
SMILESO=C1CCCC(SC(=S)N2CCCCC2)C1
InChIInChI=1S/C12H19NOS2/c14-10-5-4-6-11(9-10)16-12(15)13-7-2-1-3-8-13/h11H,1-9H2
InChIKeyWFKRMNXOSZYKGU-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-oxocyclohexyl) piperidine-1-carbodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Oxocyclopentyl 1-piperidinecarbodithioate
CID 581721
(3-oxocyclohexyl) N,N-diethylcarbamodithioate
CID 11586818
3-Oxobutan-2-yl piperidine-1-carbodithioate
CID 12710053
Piperidine-1-dithiocarboxylic acid, 2-oxocyclohexyl ester
CID 582025
8-Oxotetradecan-7-yl piperidine-1-carbodithioate
CID 71445955
1-Piperidinecarbodithioic acid, 3-oxobutyl ester
CID 11586682
(2-Oxocyclohexyl)methyl piperidine-1-carbodithioate
CID 53818453
3-Oxopentyl piperidine-1-carbodithioate
CID 54450460
(3-Oxocyclohexyl) pyrrolidine-1-carbodithioate
CID 11608444
2,4-Dioxopentan-3-yl piperidine-1-carbodithioate
CID 14912149
3-Oxopentan-2-yl piperidine-1-carbodithioate
CID 71370851
[(1S)-2-oxocyclopentyl] piperidine-1-carbodithioate
CID 92140544

Frequently Asked Questions

What is the IUPAC name of (3-oxocyclohexyl) piperidine-1-carbodithioate?
The IUPAC name of (3-oxocyclohexyl) piperidine-1-carbodithioate (CID 11601317) is (3-oxocyclohexyl) piperidine-1-carbodithioate.
What is the SMILES notation for (3-oxocyclohexyl) piperidine-1-carbodithioate?
The canonical SMILES for (3-oxocyclohexyl) piperidine-1-carbodithioate is O=C1CCCC(SC(=S)N2CCCCC2)C1.
What is the InChIKey of (3-oxocyclohexyl) piperidine-1-carbodithioate?
The InChIKey is WFKRMNXOSZYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS2/c14-10-5-4-6-11(9-10)16-12(15)13-7-2-1-3-8-13/h11H,1-9H2.
What are the key properties of (3-oxocyclohexyl) piperidine-1-carbodithioate?
(3-oxocyclohexyl) piperidine-1-carbodithioate has a molecular weight of 257.42 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclohexyl) piperidine-1-carbodithioate is sourced from PubChem (CID 11601317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).