2-benzyl-6-thia-2-azaspiro[3.5]nonane

C14H19NS — CID 82389896

IUPAC2-benzyl-6-thia-2-azaspiro[3.5]nonane
SMILESc1ccc(CN2CC3(CCCSC3)C2)cc1
InChIInChI=1S/C14H19NS/c1-2-5-13(6-3-1)9-15-10-14(11-15)7-4-8-16-12-14/h1-3,5-6H,4,7-12H2
InChIKeyPFHOYYYRNZNUMX-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.02
Rot. Bonds2

About 2-benzyl-6-thia-2-azaspiro[3.5]nonane

2-benzyl-6-thia-2-azaspiro[3.5]nonane (PubChem CID 82389896) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-benzyl-6-thia-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-benzyl-6-thia-2-azaspiro[3.5]nonane
PubChem CID82389896
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name2-benzyl-6-thia-2-azaspiro[3.5]nonane
SMILESc1ccc(CN2CC3(CCCSC3)C2)cc1
InChIInChI=1S/C14H19NS/c1-2-5-13(6-3-1)9-15-10-14(11-15)7-4-8-16-12-14/h1-3,5-6H,4,7-12H2
InChIKeyPFHOYYYRNZNUMX-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-thia-2-azaspiro[3.5]nonane?
The IUPAC name of 2-benzyl-6-thia-2-azaspiro[3.5]nonane (CID 82389896) is 2-benzyl-6-thia-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-benzyl-6-thia-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-benzyl-6-thia-2-azaspiro[3.5]nonane is c1ccc(CN2CC3(CCCSC3)C2)cc1.
What is the InChIKey of 2-benzyl-6-thia-2-azaspiro[3.5]nonane?
The InChIKey is PFHOYYYRNZNUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-5-13(6-3-1)9-15-10-14(11-15)7-4-8-16-12-14/h1-3,5-6H,4,7-12H2.
What are the key properties of 2-benzyl-6-thia-2-azaspiro[3.5]nonane?
2-benzyl-6-thia-2-azaspiro[3.5]nonane has a molecular weight of 233.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-thia-2-azaspiro[3.5]nonane is sourced from PubChem (CID 82389896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).