2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride

C15H20ClN3O4S — CID 120726485

IUPAC2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-9-13(4-3-7-16-9)17-23(21,22)10-5-6-11-12(8-10)15(20)18(2)14(11)19;/h5-6,8-9,13,16-17H,3-4,7H2,1-2H3;1H
InChIKeyKWZQFSRAGAOHLI-UHFFFAOYSA-N
MW373.86 g/mol
LogP0.75
Rot. Bonds3

About 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride

2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride (PubChem CID 120726485) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
PubChem CID120726485
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-9-13(4-3-7-16-9)17-23(21,22)10-5-6-11-12(8-10)15(20)18(2)14(11)19;/h5-6,8-9,13,16-17H,3-4,7H2,1-2H3;1H
InChIKeyKWZQFSRAGAOHLI-UHFFFAOYSA-N
XLogP0.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 119986408
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-[2-bromo-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120726813
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120726601
N-(2-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 120726763

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride (CID 120726485) is 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride is CC1NCCCC1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride?
The InChIKey is KWZQFSRAGAOHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S.ClH/c1-9-13(4-3-7-16-9)17-23(21,22)10-5-6-11-12(8-10)15(20)18(2)14(11)19;/h5-6,8-9,13,16-17H,3-4,7H2,1-2H3;1H.
What are the key properties of 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride?
2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120726485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).