ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane

C9H20N2OS — CID 139357596

IUPACethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
SMILESCCS(C)(=O)=NC1CNCC(C)C1
InChIInChI=1S/C9H20N2OS/c1-4-13(3,12)11-9-5-8(2)6-10-7-9/h8-10H,4-7H2,1-3H3
InChIKeyQXLFDJZEDRVTDZ-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.10
Rot. Bonds2

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

ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane (PubChem CID 139357596) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
PubChem CID139357596
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Nameethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
SMILESCCS(C)(=O)=NC1CNCC(C)C1
InChIInChI=1S/C9H20N2OS/c1-4-13(3,12)11-9-5-8(2)6-10-7-9/h8-10H,4-7H2,1-3H3
InChIKeyQXLFDJZEDRVTDZ-UHFFFAOYSA-N
XLogP1.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
The IUPAC name of ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane (CID 139357596) is ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
The canonical SMILES for ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane is CCS(C)(=O)=NC1CNCC(C)C1.
What is the InChIKey of ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
The InChIKey is QXLFDJZEDRVTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-13(3,12)11-9-5-8(2)6-10-7-9/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane has a molecular weight of 204.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-(5-methylpiperidin-3-yl)imino-oxo-λ6-sulfane is sourced from PubChem (CID 139357596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).