5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride

C15H20ClN3O4S — CID 120777695

IUPAC5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
SMILESCN1C(=O)c2ccc(S(=O)(=O)N3CCC(C)(CN)C3)cc2C1=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-15(8-16)5-6-18(9-15)23(21,22)10-3-4-11-12(7-10)14(20)17(2)13(11)19;/h3-4,7H,5-6,8-9,16H2,1-2H3;1H
InChIKeyUPEOIJDFCKKXSE-UHFFFAOYSA-N
MW373.86 g/mol
LogP0.69
Rot. Bonds3

About 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride

5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride (PubChem CID 120777695) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
PubChem CID120777695
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
SMILESCN1C(=O)c2ccc(S(=O)(=O)N3CCC(C)(CN)C3)cc2C1=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-15(8-16)5-6-18(9-15)23(21,22)10-3-4-11-12(7-10)14(20)17(2)13(11)19;/h3-4,7H,5-6,8-9,16H2,1-2H3;1H
InChIKeyUPEOIJDFCKKXSE-UHFFFAOYSA-N
XLogP0.69
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 50.69
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

[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223
[1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777526
6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one;hydrochloride
CID 120777251
[1-(3-fluoro-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777837
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
[1-(4-bromo-3-chlorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778219
[1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777755
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
[3-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778301
[1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777756
[1-(3-chloro-4-methylsulfanylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777209
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 120777392

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride?
The IUPAC name of 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride (CID 120777695) is 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride is CN1C(=O)c2ccc(S(=O)(=O)N3CCC(C)(CN)C3)cc2C1=O.Cl.
What is the InChIKey of 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride?
The InChIKey is UPEOIJDFCKKXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S.ClH/c1-15(8-16)5-6-18(9-15)23(21,22)10-3-4-11-12(7-10)14(20)17(2)13(11)19;/h3-4,7H,5-6,8-9,16H2,1-2H3;1H.
What are the key properties of 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride?
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 120777695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).