[(Z)-2-phenylethenyl] piperidine-1-carbodithioate

C14H17NS2 — CID 102083338

IUPAC[(Z)-2-phenylethenyl] piperidine-1-carbodithioate
SMILESS=C(S/C=C\c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H17NS2/c16-14(15-10-5-2-6-11-15)17-12-9-13-7-3-1-4-8-13/h1,3-4,7-9,12H,2,5-6,10-11H2/b12-9-
InChIKeyBNBAPMGPHPZLBX-XFXZXTDPSA-N
MW263.43 g/mol
LogP4.16
Rot. Bonds2

About [(Z)-2-phenylethenyl] piperidine-1-carbodithioate

[(Z)-2-phenylethenyl] piperidine-1-carbodithioate (PubChem CID 102083338) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is [(Z)-2-phenylethenyl] piperidine-1-carbodithioate.

Molecular Properties

Compound Name[(Z)-2-phenylethenyl] piperidine-1-carbodithioate
PubChem CID102083338
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC Name[(Z)-2-phenylethenyl] piperidine-1-carbodithioate
SMILESS=C(S/C=C\c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H17NS2/c16-14(15-10-5-2-6-11-15)17-12-9-13-7-3-1-4-8-13/h1,3-4,7-9,12H,2,5-6,10-11H2/b12-9-
InChIKeyBNBAPMGPHPZLBX-XFXZXTDPSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-2-phenylethenyl] piperidine-1-carbodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-1-piperidin-1-ylbut-3-ene-1,2-dione
CID 57235481
4-phenyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 57310756
2-phenylethyl piperidine-1-carbodithioate
CID 58637360
1-[(E)-2-phenylethenyl]azepane
CID 146169339
5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 2798165
2-phenylethenyl thiohypofluorite
CID 175755686
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525
(E)-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2295931
3-phenyl-2-piperidin-1-ylprop-2-enoic acid
CID 141448411
piperidine-1-carboxylic acid;styrene
CID 174300067
iodomethane;1-[(E)-2-phenylethenyl]piperidine
CID 20839071

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-phenylethenyl] piperidine-1-carbodithioate?
The IUPAC name of [(Z)-2-phenylethenyl] piperidine-1-carbodithioate (CID 102083338) is [(Z)-2-phenylethenyl] piperidine-1-carbodithioate.
What is the SMILES notation for [(Z)-2-phenylethenyl] piperidine-1-carbodithioate?
The canonical SMILES for [(Z)-2-phenylethenyl] piperidine-1-carbodithioate is S=C(S/C=C\c1ccccc1)N1CCCCC1.
What is the InChIKey of [(Z)-2-phenylethenyl] piperidine-1-carbodithioate?
The InChIKey is BNBAPMGPHPZLBX-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H17NS2/c16-14(15-10-5-2-6-11-15)17-12-9-13-7-3-1-4-8-13/h1,3-4,7-9,12H,2,5-6,10-11H2/b12-9-.
What are the key properties of [(Z)-2-phenylethenyl] piperidine-1-carbodithioate?
[(Z)-2-phenylethenyl] piperidine-1-carbodithioate has a molecular weight of 263.43 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-phenylethenyl] piperidine-1-carbodithioate is sourced from PubChem (CID 102083338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).