6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide

C12H15NO2S — CID 155487624

IUPAC6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide
SMILESO=S1(=O)NC2(CCC1c1ccccc1)CC2
InChIInChI=1S/C12H15NO2S/c14-16(15)11(10-4-2-1-3-5-10)6-7-12(13-16)8-9-12/h1-5,11,13H,6-9H2
InChIKeyRCPSXSWECOGTHX-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.97
Rot. Bonds1

About 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide

6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide (PubChem CID 155487624) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide.

Molecular Properties

Compound Name6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide
PubChem CID155487624
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide
SMILESO=S1(=O)NC2(CCC1c1ccccc1)CC2
InChIInChI=1S/C12H15NO2S/c14-16(15)11(10-4-2-1-3-5-10)6-7-12(13-16)8-9-12/h1-5,11,13H,6-9H2
InChIKeyRCPSXSWECOGTHX-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide?
The IUPAC name of 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide (CID 155487624) is 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide.
What is the SMILES notation for 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide?
The canonical SMILES for 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide is O=S1(=O)NC2(CCC1c1ccccc1)CC2.
What is the InChIKey of 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide?
The InChIKey is RCPSXSWECOGTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-16(15)11(10-4-2-1-3-5-10)6-7-12(13-16)8-9-12/h1-5,11,13H,6-9H2.
What are the key properties of 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide?
6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide has a molecular weight of 237.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5λ6-thia-4-azaspiro[2.5]octane 5,5-dioxide is sourced from PubChem (CID 155487624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).