2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride

C15H20ClN3O4S — CID 119991239

IUPAC2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-16-9-10-4-3-7-18(10)23(21,22)11-5-6-12-13(8-11)15(20)17(2)14(12)19;/h5-6,8,10,16H,3-4,7,9H2,1-2H3;1H
InChIKeyKNYWSYAJBCIDLW-UHFFFAOYSA-N
MW373.86 g/mol
LogP0.71
Rot. Bonds4

About 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride

2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride (PubChem CID 119991239) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride
PubChem CID119991239
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-16-9-10-4-3-7-18(10)23(21,22)11-5-6-12-13(8-11)15(20)17(2)14(12)19;/h5-6,8,10,16H,3-4,7,9H2,1-2H3;1H
InChIKeyKNYWSYAJBCIDLW-UHFFFAOYSA-N
XLogP0.71
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 50.71
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
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
CID 119969518
2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylisoindole-1,3-dione
CID 119978462
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
N-methyl-1-[1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990906
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
1-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991298
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990859
methyl 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119991348
1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991049
2-chloro-4-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 124604581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride (CID 119991239) is 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride is CNCC1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl.
What is the InChIKey of 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride?
The InChIKey is KNYWSYAJBCIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S.ClH/c1-16-9-10-4-3-7-18(10)23(21,22)11-5-6-12-13(8-11)15(20)17(2)14(12)19;/h5-6,8,10,16H,3-4,7,9H2,1-2H3;1H.
What are the key properties of 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride?
2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 119991239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).