1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C15H24N2O5S — CID 90589994

IUPAC1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H24N2O5S/c1-11(2)10-23(21,22)12-5-7-16(8-6-12)15(20)9-17-13(18)3-4-14(17)19/h11-12H,3-10H2,1-2H3
InChIKeyCGQMQNIZVWSJPU-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.20
Rot. Bonds5

About 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 90589994) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID90589994
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H24N2O5S/c1-11(2)10-23(21,22)12-5-7-16(8-6-12)15(20)9-17-13(18)3-4-14(17)19/h11-12H,3-10H2,1-2H3
InChIKeyCGQMQNIZVWSJPU-UHFFFAOYSA-N
XLogP0.20
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90590163
3-methyl-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]but-2-en-1-one
CID 90590226
1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 90590131
1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 90590148
(E)-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 90589981
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90589998
(4-chlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589993
2-methylpropylsulfonylcyclopropane
CID 58333627
(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589973
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
(3,4-dichlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590179
[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590069

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 90589994) is 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is CC(C)CS(=O)(=O)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is CGQMQNIZVWSJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-11(2)10-23(21,22)12-5-7-16(8-6-12)15(20)9-17-13(18)3-4-14(17)19/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 344.43 g/mol, XLogP of 0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90589994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).