3-(dithiophen-2-ylmethylidene)-1-methylpiperidine

C15H17NS2 — CID 5484

IUPAC3-(dithiophen-2-ylmethylidene)-1-methylpiperidine
SMILESCN1CCCC(=C(c2cccs2)c2cccs2)C1
InChIInChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3
InChIKeyJWIXXNLOKOAAQT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.34
Rot. Bonds2

About 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine

3-(dithiophen-2-ylmethylidene)-1-methylpiperidine (PubChem CID 5484) has the molecular formula C15H17NS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine.

Molecular Properties

Compound Name3-(dithiophen-2-ylmethylidene)-1-methylpiperidine
PubChem CID5484
Molecular FormulaC15H17NS2
Molecular Weight275.44 g/mol
Exact Mass275.08
IUPAC Name3-(dithiophen-2-ylmethylidene)-1-methylpiperidine
SMILESCN1CCCC(=C(c2cccs2)c2cccs2)C1
InChIInChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3
InChIKeyJWIXXNLOKOAAQT-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tiquizium Bromide
CID 72159
Dimethylthiambutene
CID 10668
Diethylthiambutene
CID 6833
Ethylmethylthiambutene
CID 46424
1-(1-Methyl-3,3-di-2-thienyl-2-propen-1-yl)piperidine
CID 3041503
Timepidium
CID 5476
(1S,5R)-3-(2,2-dithiophen-2-ylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
CID 11223597
(1R,5S)-3-(2,2-dithiophen-2-ylethenyl)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane bromide
CID 11633225
Tiquizium
CID 72160
Piperidine, 3-(di-2-thienylmethylene)-5-methoxy-1-methyl-
CID 215115
Propyl-(2-thiophen-3-yl-ethyl)-(2-thiophen-2-yl-ethyl)-amine
CID 11076818
(9aR)-7-(dithiophen-2-ylmethylidene)-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium
CID 9822821

Frequently Asked Questions

What is the IUPAC name of 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine?
The IUPAC name of 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine (CID 5484) is 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine.
What is the SMILES notation for 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine?
The canonical SMILES for 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine is CN1CCCC(=C(c2cccs2)c2cccs2)C1.
What is the InChIKey of 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine?
The InChIKey is JWIXXNLOKOAAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3.
What are the key properties of 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine?
3-(dithiophen-2-ylmethylidene)-1-methylpiperidine has a molecular weight of 275.44 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine is sourced from PubChem (CID 5484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).