3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione

C17H14N2O5S — CID 167009203

IUPAC3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
SMILESCS(=O)(=O)c1cc2c3c(cccc3c1)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H14N2O5S/c1-25(23,24)10-7-9-3-2-4-12-15(9)11(8-10)17(22)19(12)13-5-6-14(20)18-16(13)21/h2-4,7-8,13H,5-6H2,1H3,(H,18,20,21)
InChIKeyVWKMMZDVLSYXLX-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.01
Rot. Bonds2

About 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione

3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione (PubChem CID 167009203) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
PubChem CID167009203
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
SMILESCS(=O)(=O)c1cc2c3c(cccc3c1)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H14N2O5S/c1-25(23,24)10-7-9-3-2-4-12-15(9)11(8-10)17(22)19(12)13-5-6-14(20)18-16(13)21/h2-4,7-8,13H,5-6H2,1H3,(H,18,20,21)
InChIKeyVWKMMZDVLSYXLX-UHFFFAOYSA-N
XLogP1.01
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione
CID 163258710
3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione
CID 167009255
3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259374
tert-butyl N-[(E)-3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]prop-2-enyl]carbamate
CID 177280230
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
3-(4-methyl-9-oxo-4,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1,6,8(15),11,13-pentaen-10-yl)piperidine-2,6-dione
CID 170415929
tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate
CID 177280181
2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
CID 150998829
3-(10-bromo-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-2-yl)piperidine-2,6-dione
CID 167009359
3-[1-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]-4-fluoropiperidin-4-yl]-2-methylpropanoic acid
CID 163259082
1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;3-(2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 167699772
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione (CID 167009203) is 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione is CS(=O)(=O)c1cc2c3c(cccc3c1)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione?
The InChIKey is VWKMMZDVLSYXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-25(23,24)10-7-9-3-2-4-12-15(9)11(8-10)17(22)19(12)13-5-6-14(20)18-16(13)21/h2-4,7-8,13H,5-6H2,1H3,(H,18,20,21).
What are the key properties of 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione?
3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione has a molecular weight of 358.38 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 167009203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).