N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C15H20N2OS — CID 115360949

IUPACN-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCOc1ccc(NC2=NCC3(CCCC3)CS2)cc1
InChIInChI=1S/C15H20N2OS/c1-18-13-6-4-12(5-7-13)17-14-16-10-15(11-19-14)8-2-3-9-15/h4-7H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyCIRBLQYLCVMUSQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.77
Rot. Bonds2

About N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115360949) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115360949
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCOc1ccc(NC2=NCC3(CCCC3)CS2)cc1
InChIInChI=1S/C15H20N2OS/c1-18-13-6-4-12(5-7-13)17-14-16-10-15(11-19-14)8-2-3-9-15/h4-7H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyCIRBLQYLCVMUSQ-UHFFFAOYSA-N
XLogP3.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115360949) is N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is COc1ccc(NC2=NCC3(CCCC3)CS2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is CIRBLQYLCVMUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-18-13-6-4-12(5-7-13)17-14-16-10-15(11-19-14)8-2-3-9-15/h4-7H,2-3,8-11H2,1H3,(H,16,17).
What are the key properties of N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 276.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115360949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).