[3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate

C19H26N2O4S — CID 59102616

IUPAC[3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate
SMILESCC(C)(OS(=O)N1CCCCC1)C(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O4S/c1-18(2,19(3,4)25-26(24)20-12-8-5-9-13-20)21-16(22)14-10-6-7-11-15(14)17(21)23/h6-7,10-11H,5,8-9,12-13H2,1-4H3
InChIKeyQGHBJSQDYMSXSL-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.92
Rot. Bonds5

About [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate

[3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate (PubChem CID 59102616) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate.

Molecular Properties

Compound Name[3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate
PubChem CID59102616
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name[3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate
SMILESCC(C)(OS(=O)N1CCCCC1)C(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O4S/c1-18(2,19(3,4)25-26(24)20-12-8-5-9-13-20)21-16(22)14-10-6-7-11-15(14)17(21)23/h6-7,10-11H,5,8-9,12-13H2,1-4H3
InChIKeyQGHBJSQDYMSXSL-UHFFFAOYSA-N
XLogP2.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate 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-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
CID 59102632
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
CID 65266462
2-(1,3-dioxoisoindol-2-yl)-2,3-dihydroxy-3-piperidin-1-ylbutanedioic acid
CID 174752267
2-tert-butyl-3-methoxyiminoisoindol-1-one
CID 141422042
2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione
CID 168516530
2-(4-methylheptan-4-yl)isoindole-1,3-dione
CID 163719982
2-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]isoindole-1,3-dione
CID 740431
1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine
CID 86065982
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
CID 102370956
2-methylisoindole-1,3-dione;piperidine
CID 153376535
2-tert-butylisoindole-1,3-dione;3-tert-butyl-3-methyloxetane
CID 159277874

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate?
The IUPAC name of [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate (CID 59102616) is [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate.
What is the SMILES notation for [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate?
The canonical SMILES for [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate is CC(C)(OS(=O)N1CCCCC1)C(C)(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate?
The InChIKey is QGHBJSQDYMSXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-18(2,19(3,4)25-26(24)20-12-8-5-9-13-20)21-16(22)14-10-6-7-11-15(14)17(21)23/h6-7,10-11H,5,8-9,12-13H2,1-4H3.
What are the key properties of [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate?
[3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate has a molecular weight of 378.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate is sourced from PubChem (CID 59102616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).