4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine

C18H33N3S — CID 137290284

IUPAC4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)S/C(=N\CC1CCN(C)CC1)NC2(C)C
InChIInChI=1S/C18H33N3S/c1-14-5-9-18(10-6-14)17(2,3)20-16(22-18)19-13-15-7-11-21(4)12-8-15/h14-15H,5-13H2,1-4H3,(H,19,20)
InChIKeyPSDLOSPRGWISRP-UHFFFAOYSA-N
MW323.55 g/mol
LogP3.75
Rot. Bonds2

About 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine

4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine (PubChem CID 137290284) has the molecular formula C18H33N3S and a molecular weight of 323.55 g/mol. Its IUPAC name is 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine
PubChem CID137290284
Molecular FormulaC18H33N3S
Molecular Weight323.55 g/mol
Exact Mass323.24
IUPAC Name4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)S/C(=N\CC1CCN(C)CC1)NC2(C)C
InChIInChI=1S/C18H33N3S/c1-14-5-9-18(10-6-14)17(2,3)20-16(22-18)19-13-15-7-11-21(4)12-8-15/h14-15H,5-13H2,1-4H3,(H,19,20)
InChIKeyPSDLOSPRGWISRP-UHFFFAOYSA-N
XLogP3.75
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 53.75
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 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine?
The IUPAC name of 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine (CID 137290284) is 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine is CC1CCC2(CC1)S/C(=N\CC1CCN(C)CC1)NC2(C)C.
What is the InChIKey of 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine?
The InChIKey is PSDLOSPRGWISRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3S/c1-14-5-9-18(10-6-14)17(2,3)20-16(22-18)19-13-15-7-11-21(4)12-8-15/h14-15H,5-13H2,1-4H3,(H,19,20).
What are the key properties of 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine?
4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine has a molecular weight of 323.55 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thia-3-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 137290284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).