3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide

C15H18BrNOS2 — CID 70463307

IUPAC3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide
SMILESBr.COC1CNCC(=C(c2cccs2)c2cccs2)C1
InChIInChI=1S/C15H17NOS2.BrH/c1-17-12-8-11(9-16-10-12)15(13-4-2-6-18-13)14-5-3-7-19-14;/h2-7,12,16H,8-10H2,1H3;1H
InChIKeyQCWZEBNWWQJABS-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.20
Rot. Bonds3

About 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide

3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide (PubChem CID 70463307) has the molecular formula C15H18BrNOS2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide.

Molecular Properties

Compound Name3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide
PubChem CID70463307
Molecular FormulaC15H18BrNOS2
Molecular Weight372.35 g/mol
Exact Mass371.00
IUPAC Name3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide
SMILESBr.COC1CNCC(=C(c2cccs2)c2cccs2)C1
InChIInChI=1S/C15H17NOS2.BrH/c1-17-12-8-11(9-16-10-12)15(13-4-2-6-18-13)14-5-3-7-19-14;/h2-7,12,16H,8-10H2,1H3;1H
InChIKeyQCWZEBNWWQJABS-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-3-(dithiophen-2-ylmethylidene)-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 159647694
azetidin-3-yl(thiophen-2-yl)methanone
CID 58080702
1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone
CID 116573474
(5R,9aS)-7-(dithiophen-2-ylmethylidene)-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium
CID 6321280
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone
CID 175855231
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
4-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 79494578
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
pyrrolidin-3-yl(thiophen-2-yl)methanone
CID 68933269
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
2-[cyclopenta-2,4-dien-1-ylidene(thiophen-2-yl)methyl]thiophene
CID 11139311
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768

Frequently Asked Questions

What is the IUPAC name of 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide?
The IUPAC name of 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide (CID 70463307) is 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide.
What is the SMILES notation for 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide?
The canonical SMILES for 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide is Br.COC1CNCC(=C(c2cccs2)c2cccs2)C1.
What is the InChIKey of 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide?
The InChIKey is QCWZEBNWWQJABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2.BrH/c1-17-12-8-11(9-16-10-12)15(13-4-2-6-18-13)14-5-3-7-19-14;/h2-7,12,16H,8-10H2,1H3;1H.
What are the key properties of 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide?
3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide has a molecular weight of 372.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dithiophen-2-ylmethylidene)-5-methoxypiperidine;hydrobromide is sourced from PubChem (CID 70463307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).