diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane

C10H22N2OS — CID 139359674

IUPACdiethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=NC1CNCC(C)C1
InChIInChI=1S/C10H22N2OS/c1-4-14(13,5-2)12-10-6-9(3)7-11-8-10/h9-11H,4-8H2,1-3H3
InChIKeyMLRRLYVVKZHKPG-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.49
Rot. Bonds3

About diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane

diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane (PubChem CID 139359674) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namediethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
PubChem CID139359674
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Namediethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=NC1CNCC(C)C1
InChIInChI=1S/C10H22N2OS/c1-4-14(13,5-2)12-10-6-9(3)7-11-8-10/h9-11H,4-8H2,1-3H3
InChIKeyMLRRLYVVKZHKPG-UHFFFAOYSA-N
XLogP1.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
The IUPAC name of diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane (CID 139359674) is diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane.
What is the SMILES notation for diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
The canonical SMILES for diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane is CCS(=O)(CC)=NC1CNCC(C)C1.
What is the InChIKey of diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
The InChIKey is MLRRLYVVKZHKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-14(13,5-2)12-10-6-9(3)7-11-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane has a molecular weight of 218.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane is sourced from PubChem (CID 139359674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).