N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

C16H30N2S2 — CID 136762643

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCC(CC)(C/N=C1/NC2(CCC(C)CC2)CS1)SC
InChIInChI=1S/C16H30N2S2/c1-5-16(6-2,19-4)11-17-14-18-15(12-20-14)9-7-13(3)8-10-15/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyZKEVGFOJSCISPL-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.55
Rot. Bonds5

About N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136762643) has the molecular formula C16H30N2S2 and a molecular weight of 314.56 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136762643
Molecular FormulaC16H30N2S2
Molecular Weight314.56 g/mol
Exact Mass314.19
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCC(CC)(C/N=C1/NC2(CCC(C)CC2)CS1)SC
InChIInChI=1S/C16H30N2S2/c1-5-16(6-2,19-4)11-17-14-18-15(12-20-14)9-7-13(3)8-10-15/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyZKEVGFOJSCISPL-UHFFFAOYSA-N
XLogP4.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.55
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)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136964207
7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137011014
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803572
4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine
CID 136762638
N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003296
8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136905813
N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136954516
2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide
CID 136805738
N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696683
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723642

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136762643) is N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is CCC(CC)(C/N=C1/NC2(CCC(C)CC2)CS1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is ZKEVGFOJSCISPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S2/c1-5-16(6-2,19-4)11-17-14-18-15(12-20-14)9-7-13(3)8-10-15/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 314.56 g/mol, XLogP of 4.55, 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)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136762643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).