N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine

C13H22N2S — CID 136996707

IUPACN-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCCC1(/N=C2/NC3(CCCC3)CS2)CCC1
InChIInChI=1S/C13H22N2S/c1-2-12(8-5-9-12)14-11-15-13(10-16-11)6-3-4-7-13/h2-10H2,1H3,(H,14,15)
InChIKeyQKCSQHXSISKXFL-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.32
Rot. Bonds2

About N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine

N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine (PubChem CID 136996707) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
PubChem CID136996707
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCCC1(/N=C2/NC3(CCCC3)CS2)CCC1
InChIInChI=1S/C13H22N2S/c1-2-12(8-5-9-12)14-11-15-13(10-16-11)6-3-4-7-13/h2-10H2,1H3,(H,14,15)
InChIKeyQKCSQHXSISKXFL-UHFFFAOYSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N-(3-methylpentan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977178
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136850069
N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136963337
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136998917
N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977299
N-(2-pyridin-4-ylethyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977161
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
CID 136817713
N-[2-(1,3-thiazol-2-yl)propyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136896924
N-(3-methoxycyclopentyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136964224

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The IUPAC name of N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine (CID 136996707) is N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine.
What is the SMILES notation for N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The canonical SMILES for N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine is CCC1(/N=C2/NC3(CCCC3)CS2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The InChIKey is QKCSQHXSISKXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-12(8-5-9-12)14-11-15-13(10-16-11)6-3-4-7-13/h2-10H2,1H3,(H,14,15).
What are the key properties of N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine has a molecular weight of 238.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine is sourced from PubChem (CID 136996707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).