1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one

C16H17NO3S — CID 11472182

IUPAC1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one
SMILESCc1ccc(S(=O)(=O)N2CCCC23C=CC(=O)C=C3)cc1
InChIInChI=1S/C16H17NO3S/c1-13-3-5-15(6-4-13)21(19,20)17-12-2-9-16(17)10-7-14(18)8-11-16/h3-8,10-11H,2,9,12H2,1H3
InChIKeyHNROCIKYVDSYME-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.21
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one

1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 11472182) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one
PubChem CID11472182
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one
SMILESCc1ccc(S(=O)(=O)N2CCCC23C=CC(=O)C=C3)cc1
InChIInChI=1S/C16H17NO3S/c1-13-3-5-15(6-4-13)21(19,20)17-12-2-9-16(17)10-7-14(18)8-11-16/h3-8,10-11H,2,9,12H2,1H3
InChIKeyHNROCIKYVDSYME-UHFFFAOYSA-N
XLogP2.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tosylpiperidin-4-one
CID 560957
1-[1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 6609985
1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethanone
CID 787672
1-(4-Tolylsulfonyl)pyrrolidin-3-one
CID 535802
5-Methyl-1-((4-methylphenyl)sulfonyl)-1,6-dihydro-3(2H)-pyridinone
CID 677384
1-Tosyl-5,6-dihydropyridin-2(1H)-one
CID 10922977
1-Tosyl-2-vinyl-pyrrolidine
CID 10944877
Pyrrolidine, 3-methyl-4-methylene-1-[(4-methylphenyl)sulfonyl]-
CID 11107810
2-Ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 21590951
2,2,4,4-Tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 24799392
1-[(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 147657959
Pyrrolidine, 2,5-dimethyl-1-((4-methylphenyl)sulfonyl)-, cis-
CID 157755

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one (CID 11472182) is 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one is Cc1ccc(S(=O)(=O)N2CCCC23C=CC(=O)C=C3)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is HNROCIKYVDSYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-13-3-5-15(6-4-13)21(19,20)17-12-2-9-16(17)10-7-14(18)8-11-16/h3-8,10-11H,2,9,12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one?
1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 303.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-1-azaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 11472182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).