3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione

C15H17NO4S — CID 157420310

IUPAC3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione
SMILESCS(=O)(=O)C1C[C@H](C2CC(=O)NC2=O)Cc2ccccc21
InChIInChI=1S/C15H17NO4S/c1-21(19,20)13-7-10(12-8-14(17)16-15(12)18)6-9-4-2-3-5-11(9)13/h2-5,10,12-13H,6-8H2,1H3,(H,16,17,18)/t10-,12?,13?/m1/s1
InChIKeySPJMBHCWIUXQKS-QFWMXSHPSA-N
MW307.37 g/mol
LogP1.00
Rot. Bonds2

About 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione

3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione (PubChem CID 157420310) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione
PubChem CID157420310
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione
SMILESCS(=O)(=O)C1C[C@H](C2CC(=O)NC2=O)Cc2ccccc21
InChIInChI=1S/C15H17NO4S/c1-21(19,20)13-7-10(12-8-14(17)16-15(12)18)6-9-4-2-3-5-11(9)13/h2-5,10,12-13H,6-8H2,1H3,(H,16,17,18)/t10-,12?,13?/m1/s1
InChIKeySPJMBHCWIUXQKS-QFWMXSHPSA-N
XLogP1.00
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazol-2-one
CID 158375535
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-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 113306146
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
CID 67612457
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
CID 70066114
3-methylsulfonylpiperidine-2,6-dione
CID 155635001
3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione
CID 81142189
(4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one
CID 90089768
3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 106821036
3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
1-(4-methylphenyl)sulfonyl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 132595782
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione (CID 157420310) is 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione is CS(=O)(=O)C1C[C@H](C2CC(=O)NC2=O)Cc2ccccc21.
What is the InChIKey of 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione?
The InChIKey is SPJMBHCWIUXQKS-QFWMXSHPSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-21(19,20)13-7-10(12-8-14(17)16-15(12)18)6-9-4-2-3-5-11(9)13/h2-5,10,12-13H,6-8H2,1H3,(H,16,17,18)/t10-,12?,13?/m1/s1.
What are the key properties of 3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione?
3-[(2R)-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine-2,5-dione has a molecular weight of 307.37 g/mol, XLogP of 1.00, 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]pyrrolidine-2,5-dione is sourced from PubChem (CID 157420310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).