6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione

C15H16BrNO2S — CID 79956981

IUPAC6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione
SMILESCC1CC2(CS1)CC(=O)NC(=O)C2c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c1-9-6-15(8-20-9)7-12(18)17-14(19)13(15)10-2-4-11(16)5-3-10/h2-5,9,13H,6-8H2,1H3,(H,17,18,19)
InChIKeyKEFUPFUUUFRYHI-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.09
Rot. Bonds1

About 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione

6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 79956981) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione
PubChem CID79956981
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione
SMILESCC1CC2(CS1)CC(=O)NC(=O)C2c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c1-9-6-15(8-20-9)7-12(18)17-14(19)13(15)10-2-4-11(16)5-3-10/h2-5,9,13H,6-8H2,1H3,(H,17,18,19)
InChIKeyKEFUPFUUUFRYHI-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione (CID 79956981) is 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione is CC1CC2(CS1)CC(=O)NC(=O)C2c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is KEFUPFUUUFRYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-9-6-15(8-20-9)7-12(18)17-14(19)13(15)10-2-4-11(16)5-3-10/h2-5,9,13H,6-8H2,1H3,(H,17,18,19).
What are the key properties of 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione?
6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 354.27 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 79956981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).