azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane

C7H16N2OS — CID 169016700

IUPACazetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(N1CCC1)C(C)(C)C
InChIInChI=1S/C7H16N2OS/c1-7(2,3)11(8,10)9-5-4-6-9/h8H,4-6H2,1-3H3
InChIKeyABODZEBVUDJHSM-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.45
Rot. Bonds1

About azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane

azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane (PubChem CID 169016700) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nameazetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane
PubChem CID169016700
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Nameazetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(N1CCC1)C(C)(C)C
InChIInChI=1S/C7H16N2OS/c1-7(2,3)11(8,10)9-5-4-6-9/h8H,4-6H2,1-3H3
InChIKeyABODZEBVUDJHSM-UHFFFAOYSA-N
XLogP1.45
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane?
The IUPAC name of azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane (CID 169016700) is azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane?
The canonical SMILES for azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane is [H]N=S(=O)(N1CCC1)C(C)(C)C.
What is the InChIKey of azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane?
The InChIKey is ABODZEBVUDJHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-7(2,3)11(8,10)9-5-4-6-9/h8H,4-6H2,1-3H3.
What are the key properties of azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane?
azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane has a molecular weight of 176.28 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-tert-butyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 169016700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).