1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione

C15H18N2O4S — CID 73057089

IUPAC1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1
InChIInChI=1S/C15H18N2O4S/c1-10-5-7-17(8-6-10)22(20,21)11-3-4-13-12(9-11)14(18)15(19)16(13)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyVJMHCEGFLYQVFN-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.27
Rot. Bonds2

About 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione

1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione (PubChem CID 73057089) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione.

Molecular Properties

Compound Name1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione
PubChem CID73057089
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1
InChIInChI=1S/C15H18N2O4S/c1-10-5-7-17(8-6-10)22(20,21)11-3-4-13-12(9-11)14(18)15(19)16(13)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyVJMHCEGFLYQVFN-UHFFFAOYSA-N
XLogP1.27
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-Oxo-1,3-Dihydro-Benzo(C)Isothiazole-5-Sulfonic Acid Amide
CID 1387
2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 12142411
Sodium 2,3-dioxoindoline-5-sulfonate
CID 3657942
Isatin Sulfonamide 26
CID 9800285
Caspase-3/7 Inhibitor I
CID 9840223
1H-Indole-2,3-dione, 5-(1-azetidinylsulfonyl)-
CID 9903426
N-(2-methoxyethyl)-N-methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 10851609
1-[2-(phenylsulfonyl)ethyl]-1H-indole-2,3-dione
CID 8056910
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
(S)-1-(4-iodobenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
CID 11444079
Isatin sulfonamide, 16a
CID 42618287
5-(Pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
CID 4117381

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione?
The IUPAC name of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione (CID 73057089) is 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione.
What is the SMILES notation for 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione?
The canonical SMILES for 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione is CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1.
What is the InChIKey of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione?
The InChIKey is VJMHCEGFLYQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-5-7-17(8-6-10)22(20,21)11-3-4-13-12(9-11)14(18)15(19)16(13)2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione?
1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione has a molecular weight of 322.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione is sourced from PubChem (CID 73057089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).