azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane

C5H12N2OS — CID 139026528

IUPACazetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CNC1
InChIInChI=1S/C5H12N2OS/c1-9(6,8)4-5-2-7-3-5/h5-7H,2-4H2,1H3
InChIKeyZGYCJRHTHAZFFD-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.12
Rot. Bonds2

About azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane

azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane (PubChem CID 139026528) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameazetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane
PubChem CID139026528
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Nameazetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CNC1
InChIInChI=1S/C5H12N2OS/c1-9(6,8)4-5-2-7-3-5/h5-7H,2-4H2,1H3
InChIKeyZGYCJRHTHAZFFD-UHFFFAOYSA-N
XLogP-0.12
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane (CID 139026528) is azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)CC1CNC1.
What is the InChIKey of azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane?
The InChIKey is ZGYCJRHTHAZFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-9(6,8)4-5-2-7-3-5/h5-7H,2-4H2,1H3.
What are the key properties of azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane?
azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane has a molecular weight of 148.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 139026528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).