9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C15H18N2O2S — CID 64961778

IUPAC9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCSc1cccc(N2CC(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C15H18N2O2S/c1-20-12-6-4-5-11(9-12)17-10-13(18)16-15(14(17)19)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,18)
InChIKeyBLYSPGFTANXNNE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.18
Rot. Bonds2

About 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64961778) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64961778
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCSc1cccc(N2CC(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C15H18N2O2S/c1-20-12-6-4-5-11(9-12)17-10-13(18)16-15(14(17)19)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,18)
InChIKeyBLYSPGFTANXNNE-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64958649
9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961639
4-(3,4-dichlorophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64961192
4-(4-chloro-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64964846
9-(4-chlorophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961297
3,3-dimethyl-1-(3-methylsulfanylphenyl)-1,4-diazepane-2,5-dione
CID 64961812
11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64959626
9-(3-bromo-5-methoxyphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 82860798
3-tert-butyl-1-(3-methylsulfanylphenyl)piperazine-2,5-dione
CID 64961811
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64959075
9-(2-chloro-5-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107640189
8-(3-methylsulfanylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946109

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64961778) is 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CSc1cccc(N2CC(=O)NC3(CCCC3)C2=O)c1.
What is the InChIKey of 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is BLYSPGFTANXNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-20-12-6-4-5-11(9-12)17-10-13(18)16-15(14(17)19)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,18).
What are the key properties of 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 290.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64961778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).