oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane

C16H20N2OS2 — CID 3054394

IUPACoxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane
SMILESO=S(=NCCN1CCCC1)(c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2OS2/c19-21(16-9-6-14-20-16,15-7-2-1-3-8-15)17-10-13-18-11-4-5-12-18/h1-3,6-9,14H,4-5,10-13H2
InChIKeyMHQFRNPASVAMRI-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.73
Rot. Bonds5

About oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane

oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane (PubChem CID 3054394) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane.

Molecular Properties

Compound Nameoxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane
PubChem CID3054394
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Nameoxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane
SMILESO=S(=NCCN1CCCC1)(c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2OS2/c19-21(16-9-6-14-20-16,15-7-2-1-3-8-15)17-10-13-18-11-4-5-12-18/h1-3,6-9,14H,4-5,10-13H2
InChIKeyMHQFRNPASVAMRI-UHFFFAOYSA-N
XLogP3.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane?
The IUPAC name of oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane (CID 3054394) is oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane.
What is the SMILES notation for oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane?
The canonical SMILES for oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane is O=S(=NCCN1CCCC1)(c1ccccc1)c1cccs1.
What is the InChIKey of oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane?
The InChIKey is MHQFRNPASVAMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c19-21(16-9-6-14-20-16,15-7-2-1-3-8-15)17-10-13-18-11-4-5-12-18/h1-3,6-9,14H,4-5,10-13H2.
What are the key properties of oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane?
oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane has a molecular weight of 320.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane is sourced from PubChem (CID 3054394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).