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

C15H20ClN3O4S — CID 119969518

IUPAC5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
SMILESCN1C(=O)c2ccc(S(=O)(=O)N3CCCCC3CN)cc2C1=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-17-14(19)12-6-5-11(8-13(12)15(17)20)23(21,22)18-7-3-2-4-10(18)9-16;/h5-6,8,10H,2-4,7,9,16H2,1H3;1H
InChIKeyVHHVGDGVTNQVAV-UHFFFAOYSA-N
MW373.86 g/mol
LogP0.84
Rot. Bonds3

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

5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride (PubChem CID 119969518) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
PubChem CID119969518
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
SMILESCN1C(=O)c2ccc(S(=O)(=O)N3CCCCC3CN)cc2C1=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-17-14(19)12-6-5-11(8-13(12)15(17)20)23(21,22)18-7-3-2-4-10(18)9-16;/h5-6,8,10H,2-4,7,9,16H2,1H3;1H
InChIKeyVHHVGDGVTNQVAV-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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

5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione
CID 119988962
2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride
CID 119991239
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione
CID 100820359
N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
CID 120708030
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride?
The IUPAC name of 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride (CID 119969518) is 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride is CN1C(=O)c2ccc(S(=O)(=O)N3CCCCC3CN)cc2C1=O.Cl.
What is the InChIKey of 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride?
The InChIKey is VHHVGDGVTNQVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S.ClH/c1-17-14(19)12-6-5-11(8-13(12)15(17)20)23(21,22)18-7-3-2-4-10(18)9-16;/h5-6,8,10H,2-4,7,9,16H2,1H3;1H.
What are the key properties of 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride?
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 119969518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).