methanedithione;1-(piperidin-1-ylmethyl)piperidine

C12H22N2S2 — CID 6455760

IUPACmethanedithione;1-(piperidin-1-ylmethyl)piperidine
SMILESC1CCN(CN2CCCCC2)CC1.S=C=S
InChIInChI=1S/C11H22N2.CS2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1-3/h1-11H2;
InChIKeyDURYNXRIGZVXBX-UHFFFAOYSA-N
MW258.46 g/mol
LogP2.93
Rot. Bonds2

About methanedithione;1-(piperidin-1-ylmethyl)piperidine

methanedithione;1-(piperidin-1-ylmethyl)piperidine (PubChem CID 6455760) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is methanedithione;1-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Namemethanedithione;1-(piperidin-1-ylmethyl)piperidine
PubChem CID6455760
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC Namemethanedithione;1-(piperidin-1-ylmethyl)piperidine
SMILESC1CCN(CN2CCCCC2)CC1.S=C=S
InChIInChI=1S/C11H22N2.CS2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1-3/h1-11H2;
InChIKeyDURYNXRIGZVXBX-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methanedithione;1-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of methanedithione;1-(piperidin-1-ylmethyl)piperidine (CID 6455760) is methanedithione;1-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for methanedithione;1-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for methanedithione;1-(piperidin-1-ylmethyl)piperidine is C1CCN(CN2CCCCC2)CC1.S=C=S.
What is the InChIKey of methanedithione;1-(piperidin-1-ylmethyl)piperidine?
The InChIKey is DURYNXRIGZVXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.CS2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1-3/h1-11H2;.
What are the key properties of methanedithione;1-(piperidin-1-ylmethyl)piperidine?
methanedithione;1-(piperidin-1-ylmethyl)piperidine has a molecular weight of 258.46 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanedithione;1-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 6455760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).