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

C16H29N3S — CID 136929330

IUPACN-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)CS/C(=N\C1CCN(C)CC1C)N2
InChIInChI=1S/C16H29N3S/c1-12-4-7-16(8-5-12)11-20-15(18-16)17-14-6-9-19(3)10-13(14)2/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyOCTOABNTJMBYOT-UHFFFAOYSA-N
MW295.50 g/mol
LogP2.97
Rot. Bonds1

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

N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136929330) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136929330
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)CS/C(=N\C1CCN(C)CC1C)N2
InChIInChI=1S/C16H29N3S/c1-12-4-7-16(8-5-12)11-20-15(18-16)17-14-6-9-19(3)10-13(14)2/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyOCTOABNTJMBYOT-UHFFFAOYSA-N
XLogP2.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 52.97
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 N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136929330) is N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is CC1CCC2(CC1)CS/C(=N\C1CCN(C)CC1C)N2.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is OCTOABNTJMBYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-12-4-7-16(8-5-12)11-20-15(18-16)17-14-6-9-19(3)10-13(14)2/h12-14H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 295.50 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136929330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).