1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine

C12H15NS4 — CID 14980431

IUPAC1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine
SMILESC1=CSC(=C2SC=C(CN3CCCCC3)S2)S1
InChIInChI=1S/C12H15NS4/c1-2-4-13(5-3-1)8-10-9-16-12(17-10)11-14-6-7-15-11/h6-7,9H,1-5,8H2
InChIKeyXACWPECCZHGZKE-UHFFFAOYSA-N
MW301.53 g/mol
LogP4.87
Rot. Bonds2

About 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine

1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine (PubChem CID 14980431) has the molecular formula C12H15NS4 and a molecular weight of 301.53 g/mol. Its IUPAC name is 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine
PubChem CID14980431
Molecular FormulaC12H15NS4
Molecular Weight301.53 g/mol
Exact Mass301.01
IUPAC Name1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine
SMILESC1=CSC(=C2SC=C(CN3CCCCC3)S2)S1
InChIInChI=1S/C12H15NS4/c1-2-4-13(5-3-1)8-10-9-16-12(17-10)11-14-6-7-15-11/h6-7,9H,1-5,8H2
InChIKeyXACWPECCZHGZKE-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine?
The IUPAC name of 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine (CID 14980431) is 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine is C1=CSC(=C2SC=C(CN3CCCCC3)S2)S1.
What is the InChIKey of 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine?
The InChIKey is XACWPECCZHGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS4/c1-2-4-13(5-3-1)8-10-9-16-12(17-10)11-14-6-7-15-11/h6-7,9H,1-5,8H2.
What are the key properties of 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine?
1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine has a molecular weight of 301.53 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl]piperidine is sourced from PubChem (CID 14980431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).