azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane

C6H12N2OS — CID 172898072

IUPACazetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(C1CC1)N1CCC1
InChIInChI=1S/C6H12N2OS/c7-10(9,6-2-3-6)8-4-1-5-8/h6-7H,1-5H2
InChIKeyYCWLJANFPINFSR-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.82
Rot. Bonds2

About azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane

azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane (PubChem CID 172898072) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nameazetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane
PubChem CID172898072
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Nameazetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(C1CC1)N1CCC1
InChIInChI=1S/C6H12N2OS/c7-10(9,6-2-3-6)8-4-1-5-8/h6-7H,1-5H2
InChIKeyYCWLJANFPINFSR-UHFFFAOYSA-N
XLogP0.82
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyclopropanesulfonimidoyl)-3,3-difluoroazetidine hydrochloride
CID 172898695
Cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-lambda6-sulfane
CID 172898696
1-Methylazetidine-3-sulfinamide
CID 122418014
1-Cyclopropylsulfonylazetidine
CID 129182362
Azetidine-1-sulfonamide;cyclopropanesulfonamide
CID 174911402
1-(Cyclopropanesulfonimidoyl)azetidine hydrochloride
CID 172898071

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane?
The IUPAC name of azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane (CID 172898072) is azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane?
The canonical SMILES for azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane is [H]N=S(=O)(C1CC1)N1CCC1.
What is the InChIKey of azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane?
The InChIKey is YCWLJANFPINFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c7-10(9,6-2-3-6)8-4-1-5-8/h6-7H,1-5H2.
What are the key properties of azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane?
azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane has a molecular weight of 160.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 172898072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).