11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione

C16H18BrNO2S — CID 79954285

IUPAC11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
SMILESCC1SCCCC12CC(=O)NC(=O)C2c1ccccc1Br
InChIInChI=1S/C16H18BrNO2S/c1-10-16(7-4-8-21-10)9-13(19)18-15(20)14(16)11-5-2-3-6-12(11)17/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,18,19,20)
InChIKeyRIFQANATCMMMHO-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.48
Rot. Bonds1

About 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione

11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione (PubChem CID 79954285) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione.

Molecular Properties

Compound Name11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
PubChem CID79954285
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
SMILESCC1SCCCC12CC(=O)NC(=O)C2c1ccccc1Br
InChIInChI=1S/C16H18BrNO2S/c1-10-16(7-4-8-21-10)9-13(19)18-15(20)14(16)11-5-2-3-6-12(11)17/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,18,19,20)
InChIKeyRIFQANATCMMMHO-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(4-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
CID 79954277
10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 79454503
5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79437502
5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 79454268
9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79424608
4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione
CID 79418120
11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79431545
3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione
CID 79454422
3-(3-bromo-2-fluorophenyl)-2-methylthian-3-ol
CID 106644484
11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane
CID 79951994
5-(4-bromophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79429863
11-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
CID 79318263

Frequently Asked Questions

What is the IUPAC name of 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
The IUPAC name of 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione (CID 79954285) is 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione.
What is the SMILES notation for 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
The canonical SMILES for 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione is CC1SCCCC12CC(=O)NC(=O)C2c1ccccc1Br.
What is the InChIKey of 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
The InChIKey is RIFQANATCMMMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-10-16(7-4-8-21-10)9-13(19)18-15(20)14(16)11-5-2-3-6-12(11)17/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,18,19,20).
What are the key properties of 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione has a molecular weight of 368.30 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-bromophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione is sourced from PubChem (CID 79954285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).