propyl piperidine-1-carbodithioate

C9H17NS2 — CID 15668007

IUPACpropyl piperidine-1-carbodithioate
SMILESCCCSC(=S)N1CCCCC1
InChIInChI=1S/C9H17NS2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyVMBSIPWTLPBSEL-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.90
Rot. Bonds2

About propyl piperidine-1-carbodithioate

propyl piperidine-1-carbodithioate (PubChem CID 15668007) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is propyl piperidine-1-carbodithioate.

Molecular Properties

Compound Namepropyl piperidine-1-carbodithioate
PubChem CID15668007
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Namepropyl piperidine-1-carbodithioate
SMILESCCCSC(=S)N1CCCCC1
InChIInChI=1S/C9H17NS2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyVMBSIPWTLPBSEL-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 propyl piperidine-1-carbodithioate?
The IUPAC name of propyl piperidine-1-carbodithioate (CID 15668007) is propyl piperidine-1-carbodithioate.
What is the SMILES notation for propyl piperidine-1-carbodithioate?
The canonical SMILES for propyl piperidine-1-carbodithioate is CCCSC(=S)N1CCCCC1.
What is the InChIKey of propyl piperidine-1-carbodithioate?
The InChIKey is VMBSIPWTLPBSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2-8H2,1H3.
What are the key properties of propyl piperidine-1-carbodithioate?
propyl piperidine-1-carbodithioate has a molecular weight of 203.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl piperidine-1-carbodithioate is sourced from PubChem (CID 15668007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).