dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane

C8H18N2OS — CID 139357563

IUPACdimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
SMILESCC1CCNCC1N=S(C)(C)=O
InChIInChI=1S/C8H18N2OS/c1-7-4-5-9-6-8(7)10-12(2,3)11/h7-9H,4-6H2,1-3H3
InChIKeyAWIHGXUOWHVIKL-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.71
Rot. Bonds1

About dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane

dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane (PubChem CID 139357563) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
PubChem CID139357563
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Namedimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
SMILESCC1CCNCC1N=S(C)(C)=O
InChIInChI=1S/C8H18N2OS/c1-7-4-5-9-6-8(7)10-12(2,3)11/h7-9H,4-6H2,1-3H3
InChIKeyAWIHGXUOWHVIKL-UHFFFAOYSA-N
XLogP0.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
The IUPAC name of dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane (CID 139357563) is dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane is CC1CCNCC1N=S(C)(C)=O.
What is the InChIKey of dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
The InChIKey is AWIHGXUOWHVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-7-4-5-9-6-8(7)10-12(2,3)11/h7-9H,4-6H2,1-3H3.
What are the key properties of dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane?
dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane has a molecular weight of 190.31 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane is sourced from PubChem (CID 139357563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).