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

C5H14Cl2N2OS — CID 139026527

IUPACazetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride
SMILESCl.Cl.[H]N=S(C)(=O)CC1CNC1
InChIInChI=1S/C5H12N2OS.2ClH/c1-9(6,8)4-5-2-7-3-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyIDGTZCNSCUZILF-UHFFFAOYSA-N
MW221.15 g/mol
LogP0.73
Rot. Bonds2

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

azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride (PubChem CID 139026527) has the molecular formula C5H14Cl2N2OS and a molecular weight of 221.15 g/mol. Its IUPAC name is azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride.

Molecular Properties

Compound Nameazetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride
PubChem CID139026527
Molecular FormulaC5H14Cl2N2OS
Molecular Weight221.15 g/mol
Exact Mass220.02
IUPAC Nameazetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride
SMILESCl.Cl.[H]N=S(C)(=O)CC1CNC1
InChIInChI=1S/C5H12N2OS.2ClH/c1-9(6,8)4-5-2-7-3-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyIDGTZCNSCUZILF-UHFFFAOYSA-N
XLogP0.73
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 50.73
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;dihydrochloride?
The IUPAC name of azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride (CID 139026527) is azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride.
What is the SMILES notation for azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride?
The canonical SMILES for azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride is Cl.Cl.[H]N=S(C)(=O)CC1CNC1.
What is the InChIKey of azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride?
The InChIKey is IDGTZCNSCUZILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS.2ClH/c1-9(6,8)4-5-2-7-3-5;;/h5-7H,2-4H2,1H3;2*1H.
What are the key properties of azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride?
azetidin-3-ylmethyl-imino-methyl-oxo-λ6-sulfane;dihydrochloride has a molecular weight of 221.15 g/mol, XLogP of 0.73, 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;dihydrochloride is sourced from PubChem (CID 139026527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).