methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate

C12H24N4S2 — CID 159214884

IUPACmethylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate
SMILESC=[NH+]N1CCCCC1.S=C([S-])NN1CCCCC1
InChIInChI=1S/C6H12N2S2.C6H12N2/c9-6(10)7-8-4-2-1-3-5-8;1-7-8-5-3-2-4-6-8/h1-5H2,(H2,7,9,10);1-6H2
InChIKeyKQYDOMKAZUNHON-UHFFFAOYSA-N
MW288.49 g/mol
LogP-0.02
Rot. Bonds2

About methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate

methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate (PubChem CID 159214884) has the molecular formula C12H24N4S2 and a molecular weight of 288.49 g/mol. Its IUPAC name is methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate.

Molecular Properties

Compound Namemethylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate
PubChem CID159214884
Molecular FormulaC12H24N4S2
Molecular Weight288.49 g/mol
Exact Mass288.14
IUPAC Namemethylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate
SMILESC=[NH+]N1CCCCC1.S=C([S-])NN1CCCCC1
InChIInChI=1S/C6H12N2S2.C6H12N2/c9-6(10)7-8-4-2-1-3-5-8;1-7-8-5-3-2-4-6-8/h1-5H2,(H2,7,9,10);1-6H2
InChIKeyKQYDOMKAZUNHON-UHFFFAOYSA-N
XLogP-0.02
TPSA32.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate?
The IUPAC name of methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate (CID 159214884) is methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate.
What is the SMILES notation for methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate?
The canonical SMILES for methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate is C=[NH+]N1CCCCC1.S=C([S-])NN1CCCCC1.
What is the InChIKey of methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate?
The InChIKey is KQYDOMKAZUNHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S2.C6H12N2/c9-6(10)7-8-4-2-1-3-5-8;1-7-8-5-3-2-4-6-8/h1-5H2,(H2,7,9,10);1-6H2.
What are the key properties of methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate?
methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate has a molecular weight of 288.49 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate is sourced from PubChem (CID 159214884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).