3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one

C14H16N2O3S — CID 158375535

IUPAC3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one
SMILESCS(=O)(=O)C1C[C@H](n2cc[nH]c2=O)Cc2ccccc21
InChIInChI=1S/C14H16N2O3S/c1-20(18,19)13-9-11(16-7-6-15-14(16)17)8-10-4-2-3-5-12(10)13/h2-7,11,13H,8-9H2,1H3,(H,15,17)/t11-,13?/m1/s1
InChIKeyRMEWSPWAWLIKCA-JTDNENJMSA-N
MW292.36 g/mol
LogP1.45
Rot. Bonds2

About 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one

3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one (PubChem CID 158375535) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one
PubChem CID158375535
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one
SMILESCS(=O)(=O)C1C[C@H](n2cc[nH]c2=O)Cc2ccccc21
InChIInChI=1S/C14H16N2O3S/c1-20(18,19)13-9-11(16-7-6-15-14(16)17)8-10-4-2-3-5-12(10)13/h2-7,11,13H,8-9H2,1H3,(H,15,17)/t11-,13?/m1/s1
InChIKeyRMEWSPWAWLIKCA-JTDNENJMSA-N
XLogP1.45
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione
CID 157420310
3-[[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-1,4-dihydro-1,2,4-triazol-5-one
CID 160687888
3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one
CID 103125740
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 95318308
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 138021151
(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 144958529
(1S,9S)-14-(4-methylphenyl)sulfonyl-11-oxa-12λ6-thia-13,14-diazatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene 12,12-dioxide
CID 177469971
17-hydroxy-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene
CID 15580929

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one?
The IUPAC name of 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one (CID 158375535) is 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one is CS(=O)(=O)C1C[C@H](n2cc[nH]c2=O)Cc2ccccc21.
What is the InChIKey of 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one?
The InChIKey is RMEWSPWAWLIKCA-JTDNENJMSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-20(18,19)13-9-11(16-7-6-15-14(16)17)8-10-4-2-3-5-12(10)13/h2-7,11,13H,8-9H2,1H3,(H,15,17)/t11-,13?/m1/s1.
What are the key properties of 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one?
3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one has a molecular weight of 292.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one is sourced from PubChem (CID 158375535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).