3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione

C16H19NO4S — CID 13291999

IUPAC3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(S(=O)(=O)C3CCCC3)C2=O)cc1
InChIInChI=1S/C16H19NO4S/c1-11-6-8-12(9-7-11)17-15(18)10-14(16(17)19)22(20,21)13-4-2-3-5-13/h6-9,13-14H,2-5,10H2,1H3
InChIKeyROPDHOFDWRERBT-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.98
Rot. Bonds3

About 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 13291999) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID13291999
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(S(=O)(=O)C3CCCC3)C2=O)cc1
InChIInChI=1S/C16H19NO4S/c1-11-6-8-12(9-7-11)17-15(18)10-14(16(17)19)22(20,21)13-4-2-3-5-13/h6-9,13-14H,2-5,10H2,1H3
InChIKeyROPDHOFDWRERBT-UHFFFAOYSA-N
XLogP1.98
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-cyclohexylsulfonyl-2,5-dioxopyrrolidin-1-yl)-2-methylbenzoic acid
CID 13291996
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
(3S)-1-(4-methylphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 11861218
3-ethylsulfonyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 132566777
N-cyclopropyl-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970823
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 23914964
3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 71669968
(3S)-1-(4-methylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7448616
3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione
CID 14610963
4-bromo-N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23914944
(3S)-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1230280
2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 13291999) is 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(S(=O)(=O)C3CCCC3)C2=O)cc1.
What is the InChIKey of 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is ROPDHOFDWRERBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-11-6-8-12(9-7-11)17-15(18)10-14(16(17)19)22(20,21)13-4-2-3-5-13/h6-9,13-14H,2-5,10H2,1H3.
What are the key properties of 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 321.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 13291999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).