imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane

C9H19N3OS — CID 157041088

IUPACimino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CC2(CCN(C)CC2)C1
InChIInChI=1S/C9H19N3OS/c1-11-5-3-9(4-6-11)7-12(8-9)14(2,10)13/h10H,3-8H2,1-2H3
InChIKeyCVNJBKXFLORCDV-UHFFFAOYSA-N
MW217.34 g/mol
LogP0.61
Rot. Bonds1

About imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane

imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane (PubChem CID 157041088) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane
PubChem CID157041088
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Nameimino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CC2(CCN(C)CC2)C1
InChIInChI=1S/C9H19N3OS/c1-11-5-3-9(4-6-11)7-12(8-9)14(2,10)13/h10H,3-8H2,1-2H3
InChIKeyCVNJBKXFLORCDV-UHFFFAOYSA-N
XLogP0.61
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane (CID 157041088) is imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane is [H]N=S(C)(=O)N1CC2(CCN(C)CC2)C1.
What is the InChIKey of imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane?
The InChIKey is CVNJBKXFLORCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-11-5-3-9(4-6-11)7-12(8-9)14(2,10)13/h10H,3-8H2,1-2H3.
What are the key properties of imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane?
imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane has a molecular weight of 217.34 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-oxo-λ6-sulfane is sourced from PubChem (CID 157041088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).