1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione

C12H20N2O4S — CID 113083115

IUPAC1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCS(=O)(=O)N1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C12H20N2O4S/c1-2-9-19(17,18)13-7-5-10(6-8-13)14-11(15)3-4-12(14)16/h10H,2-9H2,1H3
InChIKeyIMGNFCPMWFRRPA-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.34
Rot. Bonds4

About 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione

1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 113083115) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID113083115
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCS(=O)(=O)N1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C12H20N2O4S/c1-2-9-19(17,18)13-7-5-10(6-8-13)14-11(15)3-4-12(14)16/h10H,2-9H2,1H3
InChIKeyIMGNFCPMWFRRPA-UHFFFAOYSA-N
XLogP0.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-propylsulfonylpiperidin-4-yl)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

3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
CID 121157204
2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863703
1-propylsulfonyl-4-pyrazol-1-ylpiperidine
CID 110871195
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135
1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653818
1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
3-methyl-1-propylsulfonylpiperidin-4-one
CID 114500092

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 113083115) is 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCS(=O)(=O)N1CCC(N2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is IMGNFCPMWFRRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-2-9-19(17,18)13-7-5-10(6-8-13)14-11(15)3-4-12(14)16/h10H,2-9H2,1H3.
What are the key properties of 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione?
1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 288.37 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 113083115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).