azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane

C5H12N2OS — CID 166547099

IUPACazetidin-3-ylimino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=NC1CNC1
InChIInChI=1S/C5H12N2OS/c1-9(2,8)7-5-3-6-4-5/h5-6H,3-4H2,1-2H3
InChIKeyBXNPPDVOGIFDJJ-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.31
Rot. Bonds1

About azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane

azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane (PubChem CID 166547099) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameazetidin-3-ylimino-dimethyl-oxo-λ6-sulfane
PubChem CID166547099
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Nameazetidin-3-ylimino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=NC1CNC1
InChIInChI=1S/C5H12N2OS/c1-9(2,8)7-5-3-6-4-5/h5-6H,3-4H2,1-2H3
InChIKeyBXNPPDVOGIFDJJ-UHFFFAOYSA-N
XLogP-0.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane (CID 166547099) is azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane is CS(C)(=O)=NC1CNC1.
What is the InChIKey of azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane?
The InChIKey is BXNPPDVOGIFDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-9(2,8)7-5-3-6-4-5/h5-6H,3-4H2,1-2H3.
What are the key properties of azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane?
azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane has a molecular weight of 148.23 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ylimino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 166547099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).