cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane

C6H10F2N2OS — CID 172898696

IUPACcyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(C1CC1)N1CC(F)(F)C1
InChIInChI=1S/C6H10F2N2OS/c7-6(8)3-10(4-6)12(9,11)5-1-2-5/h5,9H,1-4H2
InChIKeyJTSXEUOWVHMKEL-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.06
Rot. Bonds2

About cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane

cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane (PubChem CID 172898696) has the molecular formula C6H10F2N2OS and a molecular weight of 196.22 g/mol. Its IUPAC name is cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane
PubChem CID172898696
Molecular FormulaC6H10F2N2OS
Molecular Weight196.22 g/mol
Exact Mass196.05
IUPAC Namecyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(C1CC1)N1CC(F)(F)C1
InChIInChI=1S/C6H10F2N2OS/c7-6(8)3-10(4-6)12(9,11)5-1-2-5/h5,9H,1-4H2
InChIKeyJTSXEUOWVHMKEL-UHFFFAOYSA-N
XLogP1.06
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-Difluoroazetidin-1-yl)-ethyl-imino-oxo-lambda6-sulfane
CID 170187979
1-(Cyclopropylsulfonyl)-3,3-difluoroazetidine
CID 122269491
1-(Cyclopropanesulfonimidoyl)-3,3-difluoroazetidine hydrochloride
CID 172898695
1-(Cyclopropanesulfonimidoyl)azetidine hydrochloride
CID 172898071
Azetidin-1-yl-cyclopropyl-imino-oxo-lambda6-sulfane
CID 172898072

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane?
The IUPAC name of cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane (CID 172898696) is cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane.
What is the SMILES notation for cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane?
The canonical SMILES for cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane is [H]N=S(=O)(C1CC1)N1CC(F)(F)C1.
What is the InChIKey of cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane?
The InChIKey is JTSXEUOWVHMKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2OS/c7-6(8)3-10(4-6)12(9,11)5-1-2-5/h5,9H,1-4H2.
What are the key properties of cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane?
cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane has a molecular weight of 196.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane is sourced from PubChem (CID 172898696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).