N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C18H24N2S — CID 62527626

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESc1cc2c(c(NC3=NC4(CCCCC4)CS3)c1)CCCC2
InChIInChI=1S/C18H24N2S/c1-4-11-18(12-5-1)13-21-17(20-18)19-16-10-6-8-14-7-2-3-9-15(14)16/h6,8,10H,1-5,7,9,11-13H2,(H,19,20)
InChIKeyUWFUWGUXKRUCRP-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.78
Rot. Bonds1

About N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 62527626) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID62527626
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESc1cc2c(c(NC3=NC4(CCCCC4)CS3)c1)CCCC2
InChIInChI=1S/C18H24N2S/c1-4-11-18(12-5-1)13-21-17(20-18)19-16-10-6-8-14-7-2-3-9-15(14)16/h6,8,10H,1-5,7,9,11-13H2,(H,19,20)
InChIKeyUWFUWGUXKRUCRP-UHFFFAOYSA-N
XLogP4.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 62527626) is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is c1cc2c(c(NC3=NC4(CCCCC4)CS3)c1)CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is UWFUWGUXKRUCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-4-11-18(12-5-1)13-21-17(20-18)19-16-10-6-8-14-7-2-3-9-15(14)16/h6,8,10H,1-5,7,9,11-13H2,(H,19,20).
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 300.47 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 62527626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).