1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione

C16H20N2O4S — CID 110728255

IUPAC1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
SMILESCC1CCCN1S(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C16H20N2O4S/c1-12-4-3-11-17(12)23(21,22)14-9-7-13(8-10-14)18-15(19)5-2-6-16(18)20/h7-10,12H,2-6,11H2,1H3
InChIKeyRBSDYORKPBZHLL-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.90
Rot. Bonds3

About 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione

1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione (PubChem CID 110728255) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
PubChem CID110728255
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
SMILESCC1CCCN1S(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C16H20N2O4S/c1-12-4-3-11-17(12)23(21,22)14-9-7-13(8-10-14)18-15(19)5-2-6-16(18)20/h7-10,12H,2-6,11H2,1H3
InChIKeyRBSDYORKPBZHLL-UHFFFAOYSA-N
XLogP1.90
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.90
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

1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one
CID 71653935
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]isoindole-1,3-dione
CID 71654095
1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 42347051
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 17175034
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 119055284
(3S)-1-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 100804994
(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
CID 59100261
N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide
CID 144713635

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione (CID 110728255) is 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione is CC1CCCN1S(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione?
The InChIKey is RBSDYORKPBZHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-4-3-11-17(12)23(21,22)14-9-7-13(8-10-14)18-15(19)5-2-6-16(18)20/h7-10,12H,2-6,11H2,1H3.
What are the key properties of 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione?
1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione has a molecular weight of 336.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione is sourced from PubChem (CID 110728255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).