N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine

C15H28N2S2 — CID 136762648

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCC(CC)(C/N=C1/NC2(CCCCC2)CS1)SC
InChIInChI=1S/C15H28N2S2/c1-4-15(5-2,18-3)11-16-13-17-14(12-19-13)9-7-6-8-10-14/h4-12H2,1-3H3,(H,16,17)
InChIKeyLTQMOSUZNOQNAZ-UHFFFAOYSA-N
MW300.54 g/mol
LogP4.30
Rot. Bonds5

About N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine

N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136762648) has the molecular formula C15H28N2S2 and a molecular weight of 300.54 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136762648
Molecular FormulaC15H28N2S2
Molecular Weight300.54 g/mol
Exact Mass300.17
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCC(CC)(C/N=C1/NC2(CCCCC2)CS1)SC
InChIInChI=1S/C15H28N2S2/c1-4-15(5-2,18-3)11-16-13-17-14(12-19-13)9-7-6-8-10-14/h4-12H2,1-3H3,(H,16,17)
InChIKeyLTQMOSUZNOQNAZ-UHFFFAOYSA-N
XLogP4.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 54.30
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-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762643
N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136964207
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136817724
N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723647
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003296
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
CID 136817713
7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137011014
N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136963337
N-(3-methylpentan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977178
N-(1-ethylcyclobutyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136996707

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136762648) is N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine is CCC(CC)(C/N=C1/NC2(CCCCC2)CS1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is LTQMOSUZNOQNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S2/c1-4-15(5-2,18-3)11-16-13-17-14(12-19-13)9-7-6-8-10-14/h4-12H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 300.54 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136762648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).