oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane

C15H20N2OS3 — CID 3054384

IUPACoxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane
SMILESO=S(=NCCN1CCCCC1)(c1cccs1)c1cccs1
InChIInChI=1S/C15H20N2OS3/c18-21(14-6-4-12-19-14,15-7-5-13-20-15)16-8-11-17-9-2-1-3-10-17/h4-7,12-13H,1-3,8-11H2
InChIKeyIKVKJCYGNQAGDB-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.18
Rot. Bonds5

About oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane

oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane (PubChem CID 3054384) has the molecular formula C15H20N2OS3 and a molecular weight of 340.54 g/mol. Its IUPAC name is oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane.

Molecular Properties

Compound Nameoxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane
PubChem CID3054384
Molecular FormulaC15H20N2OS3
Molecular Weight340.54 g/mol
Exact Mass340.07
IUPAC Nameoxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane
SMILESO=S(=NCCN1CCCCC1)(c1cccs1)c1cccs1
InChIInChI=1S/C15H20N2OS3/c18-21(14-6-4-12-19-14,15-7-5-13-20-15)16-8-11-17-9-2-1-3-10-17/h4-7,12-13H,1-3,8-11H2
InChIKeyIKVKJCYGNQAGDB-UHFFFAOYSA-N
XLogP4.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane?
The IUPAC name of oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane (CID 3054384) is oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane.
What is the SMILES notation for oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane?
The canonical SMILES for oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane is O=S(=NCCN1CCCCC1)(c1cccs1)c1cccs1.
What is the InChIKey of oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane?
The InChIKey is IKVKJCYGNQAGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS3/c18-21(14-6-4-12-19-14,15-7-5-13-20-15)16-8-11-17-9-2-1-3-10-17/h4-7,12-13H,1-3,8-11H2.
What are the key properties of oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane?
oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane has a molecular weight of 340.54 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane is sourced from PubChem (CID 3054384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).