2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride

C7H16Cl2N2OS — CID 170917141

IUPAC2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride
SMILESCl.Cl.[H]N=S(C)(=O)C1CC2(CNC2)C1
InChIInChI=1S/C7H14N2OS.2ClH/c1-11(8,10)6-2-7(3-6)4-9-5-7;;/h6,8-9H,2-5H2,1H3;2*1H
InChIKeyPVEBHFRIBJXPKM-UHFFFAOYSA-N
MW247.19 g/mol
LogP1.26
Rot. Bonds1

About 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride

2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride (PubChem CID 170917141) has the molecular formula C7H16Cl2N2OS and a molecular weight of 247.19 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride.

Molecular Properties

Compound Name2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride
PubChem CID170917141
Molecular FormulaC7H16Cl2N2OS
Molecular Weight247.19 g/mol
Exact Mass246.04
IUPAC Name2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride
SMILESCl.Cl.[H]N=S(C)(=O)C1CC2(CNC2)C1
InChIInChI=1S/C7H14N2OS.2ClH/c1-11(8,10)6-2-7(3-6)4-9-5-7;;/h6,8-9H,2-5H2,1H3;2*1H
InChIKeyPVEBHFRIBJXPKM-UHFFFAOYSA-N
XLogP1.26
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride?
The IUPAC name of 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride (CID 170917141) is 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride.
What is the SMILES notation for 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride?
The canonical SMILES for 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride is Cl.Cl.[H]N=S(C)(=O)C1CC2(CNC2)C1.
What is the InChIKey of 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride?
The InChIKey is PVEBHFRIBJXPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS.2ClH/c1-11(8,10)6-2-7(3-6)4-9-5-7;;/h6,8-9H,2-5H2,1H3;2*1H.
What are the key properties of 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride?
2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride has a molecular weight of 247.19 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptan-6-yl-imino-methyl-oxo-λ6-sulfane;dihydrochloride is sourced from PubChem (CID 170917141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).