cyanomethyl piperidine-1-carbodithioate

C8H12N2S2 — CID 14788666

IUPACcyanomethyl piperidine-1-carbodithioate
SMILESN#CCSC(=S)N1CCCCC1
InChIInChI=1S/C8H12N2S2/c9-4-7-12-8(11)10-5-2-1-3-6-10/h1-3,5-7H2
InChIKeyUQFQVMDPJNVDOB-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.01
Rot. Bonds1

About cyanomethyl piperidine-1-carbodithioate

cyanomethyl piperidine-1-carbodithioate (PubChem CID 14788666) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is cyanomethyl piperidine-1-carbodithioate.

Molecular Properties

Compound Namecyanomethyl piperidine-1-carbodithioate
PubChem CID14788666
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Namecyanomethyl piperidine-1-carbodithioate
SMILESN#CCSC(=S)N1CCCCC1
InChIInChI=1S/C8H12N2S2/c9-4-7-12-8(11)10-5-2-1-3-6-10/h1-3,5-7H2
InChIKeyUQFQVMDPJNVDOB-UHFFFAOYSA-N
XLogP2.01
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl pyrrolidine-1-carbodithioate
CID 14287987
3-piperidin-1-yl-3-sulfanylidenepropanenitrile
CID 12863613
2,3-dihydroxypropyl azepane-1-carbodithioate
CID 134066368
CID 140773790
CID 140773790
(2-chlorophenyl)methyl piperidine-1-carbodithioate
CID 12003838
(2-methylphenyl)methyl piperidine-1-carbodithioate
CID 150033727
(2,6-dichloro-4-pyridinyl)methyl piperidine-1-carbodithioate
CID 2781992
2-hydroxyethylsulfanyl pyrrolidine-1-carbodithioate
CID 122384090
2-phenylethyl piperidine-1-carbodithioate
CID 58637360
(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate
CID 853106
tert-butylsulfanyl piperidine-1-carbodithioate
CID 581801
[(E)-4-(azepane-1-carbothioyldisulfanyl)but-2-enyl]sulfanyl azepane-1-carbodithioate
CID 87611237

Frequently Asked Questions

What is the IUPAC name of cyanomethyl piperidine-1-carbodithioate?
The IUPAC name of cyanomethyl piperidine-1-carbodithioate (CID 14788666) is cyanomethyl piperidine-1-carbodithioate.
What is the SMILES notation for cyanomethyl piperidine-1-carbodithioate?
The canonical SMILES for cyanomethyl piperidine-1-carbodithioate is N#CCSC(=S)N1CCCCC1.
What is the InChIKey of cyanomethyl piperidine-1-carbodithioate?
The InChIKey is UQFQVMDPJNVDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c9-4-7-12-8(11)10-5-2-1-3-6-10/h1-3,5-7H2.
What are the key properties of cyanomethyl piperidine-1-carbodithioate?
cyanomethyl piperidine-1-carbodithioate has a molecular weight of 200.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl piperidine-1-carbodithioate is sourced from PubChem (CID 14788666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).