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

C15H27N3S — CID 136929334

IUPACN-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CN(C)CCC1/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C15H27N3S/c1-12-10-18(2)9-6-13(12)16-14-17-15(11-19-14)7-4-3-5-8-15/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyBWXBPXDACBBVEV-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.72
Rot. Bonds1

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

N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136929334) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136929334
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CN(C)CCC1/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C15H27N3S/c1-12-10-18(2)9-6-13(12)16-14-17-15(11-19-14)7-4-3-5-8-15/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyBWXBPXDACBBVEV-UHFFFAOYSA-N
XLogP2.72
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136929334) is N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine is CC1CN(C)CCC1/N=C1/NC2(CCCCC2)CS1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is BWXBPXDACBBVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12-10-18(2)9-6-13(12)16-14-17-15(11-19-14)7-4-3-5-8-15/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 281.47 g/mol, XLogP of 2.72, 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)-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136929334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).