(4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate

C14H24N2S4 — CID 44550621

IUPAC(4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate
SMILESCC1CCN(C(=S)SSC(=S)N2CCC(C)CC2)CC1
InChIInChI=1S/C14H24N2S4/c1-11-3-7-15(8-4-11)13(17)19-20-14(18)16-9-5-12(2)6-10-16/h11-12H,3-10H2,1-2H3
InChIKeyZJWKZFMAEHKGBA-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.40
Rot. Bonds

About (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate

(4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate (PubChem CID 44550621) has the molecular formula C14H24N2S4 and a molecular weight of 348.63 g/mol. Its IUPAC name is (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate.

Molecular Properties

Compound Name(4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate
PubChem CID44550621
Molecular FormulaC14H24N2S4
Molecular Weight348.63 g/mol
Exact Mass348.08
IUPAC Name(4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate
SMILESCC1CCN(C(=S)SSC(=S)N2CCC(C)CC2)CC1
InChIInChI=1S/C14H24N2S4/c1-11-3-7-15(8-4-11)13(17)19-20-14(18)16-9-5-12(2)6-10-16/h11-12H,3-10H2,1-2H3
InChIKeyZJWKZFMAEHKGBA-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dipentamethylenethiuram disulfide
CID 7188
Dipentamethylenethiuram tetrasulfide
CID 61049
Dipentamethylenethiuram hexasulfide
CID 70414
Zinc, bis(1-piperidinecarbodithioato-kappaS1,kappaS1')-, (T-4)-
CID 159704
Cadmium bis(piperidine-1-carbodithioate)
CID 84725
Nickel bis(piperidine-1-carbodithioate)
CID 6100354
Lead bis(piperidine-1-carbodithioate)
CID 6451765
Copper bis(piperidine-1-carbodithioate)
CID 84847
4-Methylpiperidine; 4-methylpiperidine-1-carbodithioic acid
CID 235099
4,4'-Methylenedipiperidine-1-carbodithioic acid
CID 422236
ZINC 4-methylpiperidine-1-carbodithioic acid
CID 24192389
ZINC 3-methylpiperidine-1-carbodithioic acid
CID 24192390

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate?
The IUPAC name of (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate (CID 44550621) is (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate.
What is the SMILES notation for (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate?
The canonical SMILES for (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate is CC1CCN(C(=S)SSC(=S)N2CCC(C)CC2)CC1.
What is the InChIKey of (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate?
The InChIKey is ZJWKZFMAEHKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S4/c1-11-3-7-15(8-4-11)13(17)19-20-14(18)16-9-5-12(2)6-10-16/h11-12H,3-10H2,1-2H3.
What are the key properties of (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate?
(4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate has a molecular weight of 348.63 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate is sourced from PubChem (CID 44550621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).