N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine

C15H27N3S — CID 136850069

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCN1CCC(C)(C/N=C2/NC3(CCCC3)CS2)CC1
InChIInChI=1S/C15H27N3S/c1-14(7-9-18(2)10-8-14)11-16-13-17-15(12-19-13)5-3-4-6-15/h3-12H2,1-2H3,(H,16,17)
InChIKeyXFJICVZMFJXGTI-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.72
Rot. Bonds2

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine (PubChem CID 136850069) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
PubChem CID136850069
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCN1CCC(C)(C/N=C2/NC3(CCCC3)CS2)CC1
InChIInChI=1S/C15H27N3S/c1-14(7-9-18(2)10-8-14)11-16-13-17-15(12-19-13)5-3-4-6-15/h3-12H2,1-2H3,(H,16,17)
InChIKeyXFJICVZMFJXGTI-UHFFFAOYSA-N
XLogP2.72
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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'}

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136961744
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977306
N-(1,3-dimethylpiperidin-4-yl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136929334
N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136996707
N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136817020
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
CID 136817713
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136817724
N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136998917
4-ethyl-4-methyl-N-[(1-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136757430
N-(3-methylpentan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977178

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine (CID 136850069) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine is CN1CCC(C)(C/N=C2/NC3(CCCC3)CS2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The InChIKey is XFJICVZMFJXGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-14(7-9-18(2)10-8-14)11-16-13-17-15(12-19-13)5-3-4-6-15/h3-12H2,1-2H3,(H,16,17).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine has a molecular weight of 281.47 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine is sourced from PubChem (CID 136850069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).