2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one

C16H22N2OS — CID 135783335

IUPAC2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one
SMILESO=C1N/C(=N\C23CC4CC(CC2C4)C3)SC12CCCC2
InChIInChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)
InChIKeyGXHSOLWRHSMNFU-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.10
Rot. Bonds1

About 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one

2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one (PubChem CID 135783335) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one
PubChem CID135783335
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one
SMILESO=C1N/C(=N\C23CC4CC(CC2C4)C3)SC12CCCC2
InChIInChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)
InChIKeyGXHSOLWRHSMNFU-UHFFFAOYSA-N
XLogP3.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one?
The IUPAC name of 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one (CID 135783335) is 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one is O=C1N/C(=N\C23CC4CC(CC2C4)C3)SC12CCCC2.
What is the InChIKey of 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one?
The InChIKey is GXHSOLWRHSMNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19).
What are the key properties of 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one?
2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one has a molecular weight of 290.43 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1-thia-3-azaspiro[4.4]nonan-4-one is sourced from PubChem (CID 135783335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).