piperidine-1-carbodithioate;piperidin-1-ium

C11H22N2S2 — CID 2820349

IUPACpiperidine-1-carbodithioate;piperidin-1-ium
SMILESC1CC[NH2+]CC1.S=C([S-])N1CCCCC1
InChIInChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2
InChIKeyPVFZKRMYBKEXBN-UHFFFAOYSA-N
MW246.44 g/mol
LogP1.04
Rot. Bonds

About piperidine-1-carbodithioate;piperidin-1-ium

piperidine-1-carbodithioate;piperidin-1-ium (PubChem CID 2820349) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is piperidine-1-carbodithioate;piperidin-1-ium.

Molecular Properties

Compound Namepiperidine-1-carbodithioate;piperidin-1-ium
PubChem CID2820349
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC Namepiperidine-1-carbodithioate;piperidin-1-ium
SMILESC1CC[NH2+]CC1.S=C([S-])N1CCCCC1
InChIInChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2
InChIKeyPVFZKRMYBKEXBN-UHFFFAOYSA-N
XLogP1.04
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine-1-carbodithioate;piperidin-1-ium?
The IUPAC name of piperidine-1-carbodithioate;piperidin-1-ium (CID 2820349) is piperidine-1-carbodithioate;piperidin-1-ium.
What is the SMILES notation for piperidine-1-carbodithioate;piperidin-1-ium?
The canonical SMILES for piperidine-1-carbodithioate;piperidin-1-ium is C1CC[NH2+]CC1.S=C([S-])N1CCCCC1.
What is the InChIKey of piperidine-1-carbodithioate;piperidin-1-ium?
The InChIKey is PVFZKRMYBKEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2.
What are the key properties of piperidine-1-carbodithioate;piperidin-1-ium?
piperidine-1-carbodithioate;piperidin-1-ium has a molecular weight of 246.44 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carbodithioate;piperidin-1-ium is sourced from PubChem (CID 2820349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).