2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione

C17H23N3O4S — CID 120715473

IUPAC2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
SMILESCNC1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C17H23N3O4S/c1-18-13-6-4-9-19(12-13)25(23,24)11-5-10-20-16(21)14-7-2-3-8-15(14)17(20)22/h2-3,7-8,13,18H,4-6,9-12H2,1H3
InChIKeyGFTXLZUTCZJVBX-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.69
Rot. Bonds6

About 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione

2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione (PubChem CID 120715473) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
PubChem CID120715473
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
SMILESCNC1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C17H23N3O4S/c1-18-13-6-4-9-19(12-13)25(23,24)11-5-10-20-16(21)14-7-2-3-8-15(14)17(20)22/h2-3,7-8,13,18H,4-6,9-12H2,1H3
InChIKeyGFTXLZUTCZJVBX-UHFFFAOYSA-N
XLogP0.69
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
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

2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120710927
2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione;hydrochloride
CID 120710926
2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione
CID 16811271
2-[3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)propyl]isoindole-1,3-dione;hydrochloride
CID 120711835
2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione
CID 97307678
2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
CID 17422099
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
2-[3-[(3R,4R)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 124868908
2-[3-[(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)sulfonyl]propyl]isoindole-1,3-dione
CID 120712836
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
CID 110868419
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione (CID 120715473) is 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione is CNC1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione?
The InChIKey is GFTXLZUTCZJVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-18-13-6-4-9-19(12-13)25(23,24)11-5-10-20-16(21)14-7-2-3-8-15(14)17(20)22/h2-3,7-8,13,18H,4-6,9-12H2,1H3.
What are the key properties of 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione?
2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione has a molecular weight of 365.46 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 120715473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).