8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide

C16H19N3O2S — CID 128732078

IUPAC8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide
SMILESO=S1(=O)CCN(c2ccnc3ccncc23)CCC12CCC2
InChIInChI=1S/C16H19N3O2S/c20-22(21)11-10-19(9-6-16(22)4-1-5-16)15-3-8-18-14-2-7-17-12-13(14)15/h2-3,7-8,12H,1,4-6,9-11H2
InChIKeyYQDTYCRFRDRSKW-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.18
Rot. Bonds1

About 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide

8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide (PubChem CID 128732078) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide.

Molecular Properties

Compound Name8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide
PubChem CID128732078
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide
SMILESO=S1(=O)CCN(c2ccnc3ccncc23)CCC12CCC2
InChIInChI=1S/C16H19N3O2S/c20-22(21)11-10-19(9-6-16(22)4-1-5-16)15-3-8-18-14-2-7-17-12-13(14)15/h2-3,7-8,12H,1,4-6,9-11H2
InChIKeyYQDTYCRFRDRSKW-UHFFFAOYSA-N
XLogP2.18
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide?
The IUPAC name of 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide (CID 128732078) is 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide.
What is the SMILES notation for 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide?
The canonical SMILES for 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide is O=S1(=O)CCN(c2ccnc3ccncc23)CCC12CCC2.
What is the InChIKey of 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide?
The InChIKey is YQDTYCRFRDRSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21)11-10-19(9-6-16(22)4-1-5-16)15-3-8-18-14-2-7-17-12-13(14)15/h2-3,7-8,12H,1,4-6,9-11H2.
What are the key properties of 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide?
8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide has a molecular weight of 317.41 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,6-naphthyridin-4-yl)-5λ6-thia-8-azaspiro[3.6]decane 5,5-dioxide is sourced from PubChem (CID 128732078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).