(piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate

C12H22N4S6 — CID 3048474

IUPAC(piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate
SMILESS=C(NN1CCCCC1)SSSSC(=S)NN1CCCCC1
InChIInChI=1S/C12H22N4S6/c17-11(13-15-7-3-1-4-8-15)19-21-22-20-12(18)14-16-9-5-2-6-10-16/h1-10H2,(H,13,17)(H,14,18)
InChIKeyZJIZEVJHBSSGJP-UHFFFAOYSA-N
MW414.74 g/mol
LogP4.22
Rot. Bonds5

About (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate

(piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate (PubChem CID 3048474) has the molecular formula C12H22N4S6 and a molecular weight of 414.74 g/mol. Its IUPAC name is (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate.

Molecular Properties

Compound Name(piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate
PubChem CID3048474
Molecular FormulaC12H22N4S6
Molecular Weight414.74 g/mol
Exact Mass414.02
IUPAC Name(piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate
SMILESS=C(NN1CCCCC1)SSSSC(=S)NN1CCCCC1
InChIInChI=1S/C12H22N4S6/c17-11(13-15-7-3-1-4-8-15)19-21-22-20-12(18)14-16-9-5-2-6-10-16/h1-10H2,(H,13,17)(H,14,18)
InChIKeyZJIZEVJHBSSGJP-UHFFFAOYSA-N
XLogP4.22
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.74
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate?
The IUPAC name of (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate (CID 3048474) is (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate.
What is the SMILES notation for (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate?
The canonical SMILES for (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate is S=C(NN1CCCCC1)SSSSC(=S)NN1CCCCC1.
What is the InChIKey of (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate?
The InChIKey is ZJIZEVJHBSSGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S6/c17-11(13-15-7-3-1-4-8-15)19-21-22-20-12(18)14-16-9-5-2-6-10-16/h1-10H2,(H,13,17)(H,14,18).
What are the key properties of (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate?
(piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate has a molecular weight of 414.74 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate is sourced from PubChem (CID 3048474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).