(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C19H23NO3S — CID 146103752

IUPAC(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1cccc(C2=CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)CC2)c1
InChIInChI=1S/C19H23NO3S/c1-14-3-2-4-16(9-14)15-5-7-20(8-6-15)18(21)17-10-19(11-17)12-24(22,23)13-19/h2-5,9,17H,6-8,10-13H2,1H3
InChIKeyDASAOUUIEKFLCR-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.44
Rot. Bonds2

About (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 146103752) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID146103752
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1cccc(C2=CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)CC2)c1
InChIInChI=1S/C19H23NO3S/c1-14-3-2-4-16(9-14)15-5-7-20(8-6-15)18(21)17-10-19(11-17)12-24(22,23)13-19/h2-5,9,17H,6-8,10-13H2,1H3
InChIKeyDASAOUUIEKFLCR-UHFFFAOYSA-N
XLogP2.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Related Compounds

1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
2-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977486
[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 122138551
4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile
CID 122138535
2-[8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 66617133
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146115384
(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
CID 143163887
6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757368
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877456
2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 57336606
2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977628
2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120699144

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 146103752) is (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1cccc(C2=CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)CC2)c1.
What is the InChIKey of (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is DASAOUUIEKFLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-3-2-4-16(9-14)15-5-7-20(8-6-15)18(21)17-10-19(11-17)12-24(22,23)13-19/h2-5,9,17H,6-8,10-13H2,1H3.
What are the key properties of (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 345.46 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 146103752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).