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

C12H22N2OS2 — CID 137003296

IUPACN-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCSC(C)(C)C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C12H22N2OS2/c1-11(2,16-3)8-13-10-14-12(9-17-10)4-6-15-7-5-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyWQDQFXUWGVSXPR-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.37
Rot. Bonds3

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

N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 137003296) has the molecular formula C12H22N2OS2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID137003296
Molecular FormulaC12H22N2OS2
Molecular Weight274.45 g/mol
Exact Mass274.12
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCSC(C)(C)C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C12H22N2OS2/c1-11(2,16-3)8-13-10-14-12(9-17-10)4-6-15-7-5-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyWQDQFXUWGVSXPR-UHFFFAOYSA-N
XLogP2.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730382
N-(4-methoxy-2,2-dimethylbutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730441
7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137011014
4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine
CID 137011012
N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide
CID 136819697
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819457
N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819771
N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819626
N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819447
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730395

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 137003296) is N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CSC(C)(C)C/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is WQDQFXUWGVSXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS2/c1-11(2,16-3)8-13-10-14-12(9-17-10)4-6-15-7-5-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 274.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 137003296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).