2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione

C16H20N2O5S — CID 97307678

IUPAC2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione
SMILESC[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CCO1
InChIInChI=1S/C16H20N2O5S/c1-12-11-17(8-9-23-12)24(21,22)10-4-7-18-15(19)13-5-2-3-6-14(13)16(18)20/h2-3,5-6,12H,4,7-11H2,1H3/t12-/m1/s1
InChIKeyKNINYVGJXXXMOJ-GFCCVEGCSA-N
MW352.41 g/mol
LogP0.72
Rot. Bonds5

About 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione

2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione (PubChem CID 97307678) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione
PubChem CID97307678
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione
SMILESC[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CCO1
InChIInChI=1S/C16H20N2O5S/c1-12-11-17(8-9-23-12)24(21,22)10-4-7-18-15(19)13-5-2-3-6-14(13)16(18)20/h2-3,5-6,12H,4,7-11H2,1H3/t12-/m1/s1
InChIKeyKNINYVGJXXXMOJ-GFCCVEGCSA-N
XLogP0.72
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120715473
2-[3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)propyl]isoindole-1,3-dione;hydrochloride
CID 120711835
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione
CID 16811271
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
CID 46674460
2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110740221
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-[3-[(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)sulfonyl]propyl]isoindole-1,3-dione
CID 120712836
2-[3-[(3R,4R)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 124868908
2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
CID 17422099
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione (CID 97307678) is 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione is C[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CCO1.
What is the InChIKey of 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione?
The InChIKey is KNINYVGJXXXMOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-12-11-17(8-9-23-12)24(21,22)10-4-7-18-15(19)13-5-2-3-6-14(13)16(18)20/h2-3,5-6,12H,4,7-11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione?
2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione has a molecular weight of 352.41 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-2-methylmorpholin-4-yl]sulfonylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 97307678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).