prop-2-enyl piperidine-1-carbodithioate

C9H15NS2 — CID 15668008

IUPACprop-2-enyl piperidine-1-carbodithioate
SMILESC=CCSC(=S)N1CCCCC1
InChIInChI=1S/C9H15NS2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2H,1,3-8H2
InChIKeyVJHVJRITOSFLGN-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.68
Rot. Bonds2

About prop-2-enyl piperidine-1-carbodithioate

prop-2-enyl piperidine-1-carbodithioate (PubChem CID 15668008) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is prop-2-enyl piperidine-1-carbodithioate.

Molecular Properties

Compound Nameprop-2-enyl piperidine-1-carbodithioate
PubChem CID15668008
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Nameprop-2-enyl piperidine-1-carbodithioate
SMILESC=CCSC(=S)N1CCCCC1
InChIInChI=1S/C9H15NS2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2H,1,3-8H2
InChIKeyVJHVJRITOSFLGN-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl piperidine-1-carbodithioate?
The IUPAC name of prop-2-enyl piperidine-1-carbodithioate (CID 15668008) is prop-2-enyl piperidine-1-carbodithioate.
What is the SMILES notation for prop-2-enyl piperidine-1-carbodithioate?
The canonical SMILES for prop-2-enyl piperidine-1-carbodithioate is C=CCSC(=S)N1CCCCC1.
What is the InChIKey of prop-2-enyl piperidine-1-carbodithioate?
The InChIKey is VJHVJRITOSFLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2H,1,3-8H2.
What are the key properties of prop-2-enyl piperidine-1-carbodithioate?
prop-2-enyl piperidine-1-carbodithioate has a molecular weight of 201.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl piperidine-1-carbodithioate is sourced from PubChem (CID 15668008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).