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

C6H13ClN2OS — CID 172898071

IUPACazetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(=O)(C1CC1)N1CCC1
InChIInChI=1S/C6H12N2OS.ClH/c7-10(9,6-2-3-6)8-4-1-5-8;/h6-7H,1-5H2;1H
InChIKeyPLHWPMWXIWMGCE-UHFFFAOYSA-N
MW196.70 g/mol
LogP1.24
Rot. Bonds2

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

azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride (PubChem CID 172898071) has the molecular formula C6H13ClN2OS and a molecular weight of 196.70 g/mol. Its IUPAC name is azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride.

Molecular Properties

Compound Nameazetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride
PubChem CID172898071
Molecular FormulaC6H13ClN2OS
Molecular Weight196.70 g/mol
Exact Mass196.04
IUPAC Nameazetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(=O)(C1CC1)N1CCC1
InChIInChI=1S/C6H12N2OS.ClH/c7-10(9,6-2-3-6)8-4-1-5-8;/h6-7H,1-5H2;1H
InChIKeyPLHWPMWXIWMGCE-UHFFFAOYSA-N
XLogP1.24
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride?
The IUPAC name of azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride (CID 172898071) is azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride.
What is the SMILES notation for azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride?
The canonical SMILES for azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride is Cl.[H]N=S(=O)(C1CC1)N1CCC1.
What is the InChIKey of azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride?
The InChIKey is PLHWPMWXIWMGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS.ClH/c7-10(9,6-2-3-6)8-4-1-5-8;/h6-7H,1-5H2;1H.
What are the key properties of azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride?
azetidin-1-yl-cyclopropyl-imino-oxo-λ6-sulfane;hydrochloride has a molecular weight of 196.70 g/mol, XLogP of 1.24, 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;hydrochloride is sourced from PubChem (CID 172898071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).