7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine

C15H26N2OS — CID 135998387

IUPAC7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC2(CS/C(=N\CC3CCOCC3)N2)C1
InChIInChI=1S/C15H26N2OS/c1-12-3-2-6-15(9-12)11-19-14(17-15)16-10-13-4-7-18-8-5-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyRHCBIKKZOGXTNX-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.05
Rot. Bonds2

About 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine

7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 135998387) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID135998387
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC2(CS/C(=N\CC3CCOCC3)N2)C1
InChIInChI=1S/C15H26N2OS/c1-12-3-2-6-15(9-12)11-19-14(17-15)16-10-13-4-7-18-8-5-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyRHCBIKKZOGXTNX-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine (CID 135998387) is 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine is CC1CCCC2(CS/C(=N\CC3CCOCC3)N2)C1.
What is the InChIKey of 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is RHCBIKKZOGXTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12-3-2-6-15(9-12)11-19-14(17-15)16-10-13-4-7-18-8-5-13/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 282.45 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 135998387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).