N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C15H26N2OS — CID 83028670

IUPACN-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC1(C)CC(NC2=NCC3(CCCC3)CS2)CCO1
InChIInChI=1S/C15H26N2OS/c1-14(2)9-12(5-8-18-14)17-13-16-10-15(11-19-13)6-3-4-7-15/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyVJHCAUPGTOFLJJ-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.20
Rot. Bonds1

About N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 83028670) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID83028670
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC1(C)CC(NC2=NCC3(CCCC3)CS2)CCO1
InChIInChI=1S/C15H26N2OS/c1-14(2)9-12(5-8-18-14)17-13-16-10-15(11-19-13)6-3-4-7-15/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyVJHCAUPGTOFLJJ-UHFFFAOYSA-N
XLogP3.20
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 83028670) is N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is CC1(C)CC(NC2=NCC3(CCCC3)CS2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is VJHCAUPGTOFLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-14(2)9-12(5-8-18-14)17-13-16-10-15(11-19-13)6-3-4-7-15/h12H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 282.45 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 83028670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).