(2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate

C14H20N2S5 — CID 54534982

IUPAC(2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate
SMILESS=C(SC(=S)C(=S)N1CCCCC1)C(=S)N1CCCCC1
InChIInChI=1S/C14H20N2S5/c17-11(15-7-3-1-4-8-15)13(19)21-14(20)12(18)16-9-5-2-6-10-16/h1-10H2
InChIKeyYZDRRINQURDZMK-UHFFFAOYSA-N
MW376.66 g/mol
LogP4.00
Rot. Bonds

About (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate

(2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate (PubChem CID 54534982) has the molecular formula C14H20N2S5 and a molecular weight of 376.66 g/mol. Its IUPAC name is (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate.

Molecular Properties

Compound Name(2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate
PubChem CID54534982
Molecular FormulaC14H20N2S5
Molecular Weight376.66 g/mol
Exact Mass376.02
IUPAC Name(2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate
SMILESS=C(SC(=S)C(=S)N1CCCCC1)C(=S)N1CCCCC1
InChIInChI=1S/C14H20N2S5/c17-11(15-7-3-1-4-8-15)13(19)21-14(20)12(18)16-9-5-2-6-10-16/h1-10H2
InChIKeyYZDRRINQURDZMK-UHFFFAOYSA-N
XLogP4.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 140773790
CID 140773790
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sodium pyrrolidine-1-carbodithioic acid
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1-piperidin-1-ylprop-2-ene-1-thione
CID 167111795
1,2-di(piperidin-1-yl)ethene-1,2-diol
CID 15970102
ethyl pyrrolidine-1-carbodithioate
CID 14287987
tert-butylsulfanyl piperidine-1-carbodithioate
CID 581801
(E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione
CID 15473911
[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate
CID 6329119
carbamothioylsulfanyl pyrrolidine-1-carbodithioate
CID 10376943
[3,5-bis(piperidine-1-carbothioyldisulfanyl)phenyl]sulfanyl piperidine-1-carbodithioate
CID 54513679

Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate?
The IUPAC name of (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate (CID 54534982) is (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate.
What is the SMILES notation for (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate?
The canonical SMILES for (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate is S=C(SC(=S)C(=S)N1CCCCC1)C(=S)N1CCCCC1.
What is the InChIKey of (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate?
The InChIKey is YZDRRINQURDZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S5/c17-11(15-7-3-1-4-8-15)13(19)21-14(20)12(18)16-9-5-2-6-10-16/h1-10H2.
What are the key properties of (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate?
(2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate has a molecular weight of 376.66 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate is sourced from PubChem (CID 54534982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).