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

C6H11ClF2N2OS — CID 172898695

IUPACcyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(=O)(C1CC1)N1CC(F)(F)C1
InChIInChI=1S/C6H10F2N2OS.ClH/c7-6(8)3-10(4-6)12(9,11)5-1-2-5;/h5,9H,1-4H2;1H
InChIKeyIPKDYZMNGOIUJJ-UHFFFAOYSA-N
MW232.68 g/mol
LogP1.48
Rot. Bonds2

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

cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride (PubChem CID 172898695) has the molecular formula C6H11ClF2N2OS and a molecular weight of 232.68 g/mol. Its IUPAC name is cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride
PubChem CID172898695
Molecular FormulaC6H11ClF2N2OS
Molecular Weight232.68 g/mol
Exact Mass232.02
IUPAC Namecyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(=O)(C1CC1)N1CC(F)(F)C1
InChIInChI=1S/C6H10F2N2OS.ClH/c7-6(8)3-10(4-6)12(9,11)5-1-2-5;/h5,9H,1-4H2;1H
InChIKeyIPKDYZMNGOIUJJ-UHFFFAOYSA-N
XLogP1.48
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-imino-oxo-piperidin-1-yl-λ6-sulfane;hydrochloride
CID 172909610
ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane
CID 165438824
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride
CID 172880436
imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane
CID 165438879
3,3-difluoroazetidine-1-carbaldehyde
CID 87323503
1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 56794326
cyclopropanesulfonic acid
CID 10419166
(3aS,6aR)-2-cyclopropylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679585
3,3-difluoro-1-methylsulfonylpiperidine
CID 164644528
3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol
CID 165368796
tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane
CID 165438166
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride?
The IUPAC name of cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride (CID 172898695) is cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride.
What is the SMILES notation for cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride?
The canonical SMILES for cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride is Cl.[H]N=S(=O)(C1CC1)N1CC(F)(F)C1.
What is the InChIKey of cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride?
The InChIKey is IPKDYZMNGOIUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2OS.ClH/c7-6(8)3-10(4-6)12(9,11)5-1-2-5;/h5,9H,1-4H2;1H.
What are the key properties of cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride?
cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane;hydrochloride has a molecular weight of 232.68 g/mol, XLogP of 1.48, 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;hydrochloride is sourced from PubChem (CID 172898695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).