azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane

C5H12N2OS — CID 122496139

IUPACazetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)N1CCC1
InChIInChI=1S/C5H12N2OS/c1-6-9(2,8)7-4-3-5-7/h3-5H2,1-2H3
InChIKeyCRCMMNBDIAIMEL-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.33
Rot. Bonds1

About azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane

azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane (PubChem CID 122496139) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Nameazetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane
PubChem CID122496139
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Nameazetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)N1CCC1
InChIInChI=1S/C5H12N2OS/c1-6-9(2,8)7-4-3-5-7/h3-5H2,1-2H3
InChIKeyCRCMMNBDIAIMEL-UHFFFAOYSA-N
XLogP0.33
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane (CID 122496139) is azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane is CN=S(C)(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane?
The InChIKey is CRCMMNBDIAIMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-6-9(2,8)7-4-3-5-7/h3-5H2,1-2H3.
What are the key properties of azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane?
azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane has a molecular weight of 148.23 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-methyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 122496139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).