diethyl-methylimino-oxo-λ6-sulfane

C5H13NOS — CID 58308321

IUPACdiethyl-methylimino-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=NC
InChIInChI=1S/C5H13NOS/c1-4-8(7,5-2)6-3/h4-5H2,1-3H3
InChIKeyLWSFVGUHSDRBJR-UHFFFAOYSA-N
MW135.23 g/mol
LogP1.12
Rot. Bonds2

About diethyl-methylimino-oxo-λ6-sulfane

diethyl-methylimino-oxo-λ6-sulfane (PubChem CID 58308321) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is diethyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Namediethyl-methylimino-oxo-λ6-sulfane
PubChem CID58308321
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Namediethyl-methylimino-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=NC
InChIInChI=1S/C5H13NOS/c1-4-8(7,5-2)6-3/h4-5H2,1-3H3
InChIKeyLWSFVGUHSDRBJR-UHFFFAOYSA-N
XLogP1.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diethyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of diethyl-methylimino-oxo-λ6-sulfane (CID 58308321) is diethyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for diethyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for diethyl-methylimino-oxo-λ6-sulfane is CCS(=O)(CC)=NC.
What is the InChIKey of diethyl-methylimino-oxo-λ6-sulfane?
The InChIKey is LWSFVGUHSDRBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-4-8(7,5-2)6-3/h4-5H2,1-3H3.
What are the key properties of diethyl-methylimino-oxo-λ6-sulfane?
diethyl-methylimino-oxo-λ6-sulfane has a molecular weight of 135.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 58308321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).