3-oxopentyl piperidine-1-carbodithioate

C11H19NOS2 — CID 54450460

IUPAC3-oxopentyl piperidine-1-carbodithioate
SMILESCCC(=O)CCSC(=S)N1CCCCC1
InChIInChI=1S/C11H19NOS2/c1-2-10(13)6-9-15-11(14)12-7-4-3-5-8-12/h2-9H2,1H3
InChIKeyWUPFLQOGFKVCEV-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.86
Rot. Bonds4

About 3-oxopentyl piperidine-1-carbodithioate

3-oxopentyl piperidine-1-carbodithioate (PubChem CID 54450460) has the molecular formula C11H19NOS2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-oxopentyl piperidine-1-carbodithioate.

Molecular Properties

Compound Name3-oxopentyl piperidine-1-carbodithioate
PubChem CID54450460
Molecular FormulaC11H19NOS2
Molecular Weight245.41 g/mol
Exact Mass245.09
IUPAC Name3-oxopentyl piperidine-1-carbodithioate
SMILESCCC(=O)CCSC(=S)N1CCCCC1
InChIInChI=1S/C11H19NOS2/c1-2-10(13)6-9-15-11(14)12-7-4-3-5-8-12/h2-9H2,1H3
InChIKeyWUPFLQOGFKVCEV-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oxopentyl piperidine-1-carbodithioate?
The IUPAC name of 3-oxopentyl piperidine-1-carbodithioate (CID 54450460) is 3-oxopentyl piperidine-1-carbodithioate.
What is the SMILES notation for 3-oxopentyl piperidine-1-carbodithioate?
The canonical SMILES for 3-oxopentyl piperidine-1-carbodithioate is CCC(=O)CCSC(=S)N1CCCCC1.
What is the InChIKey of 3-oxopentyl piperidine-1-carbodithioate?
The InChIKey is WUPFLQOGFKVCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS2/c1-2-10(13)6-9-15-11(14)12-7-4-3-5-8-12/h2-9H2,1H3.
What are the key properties of 3-oxopentyl piperidine-1-carbodithioate?
3-oxopentyl piperidine-1-carbodithioate has a molecular weight of 245.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxopentyl piperidine-1-carbodithioate is sourced from PubChem (CID 54450460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).