2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione

C16H20N2O3S — CID 122154429

IUPAC2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione
SMILESCC1CSCCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O3S/c1-11-10-22-7-6-17(11)8-12(19)9-18-15(20)13-4-2-3-5-14(13)16(18)21/h2-5,11-12,19H,6-10H2,1H3/t11?,12-/m1/s1
InChIKeyJZOQFDXZEPGDFG-PIJUOVFKSA-N
MW320.41 g/mol
LogP1.08
Rot. Bonds4

About 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione

2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione (PubChem CID 122154429) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione
PubChem CID122154429
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione
SMILESCC1CSCCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O3S/c1-11-10-22-7-6-17(11)8-12(19)9-18-15(20)13-4-2-3-5-14(13)16(18)21/h2-5,11-12,19H,6-10H2,1H3/t11?,12-/m1/s1
InChIKeyJZOQFDXZEPGDFG-PIJUOVFKSA-N
XLogP1.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.08
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-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-[(2S)-3-(3,3-difluoropyrrolidin-1-yl)-2-hydroxypropyl]isoindole-1,3-dione
CID 129358897
2-(2-hydroxyhexyl)isoindole-1,3-dione
CID 67854445
2-[(2S)-2-hydroxy-3-(4-methylphenyl)propyl]isoindole-1,3-dione
CID 167611786
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
CID 991448
2-[3-(2-aminopropylsulfanyl)-2-hydroxypropyl]isoindole-1,3-dione
CID 131194485
2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione
CID 3310729
2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione
CID 3771326
2-(2-hydroxypent-4-ynyl)isoindole-1,3-dione
CID 118917495
2-[(2S)-2-hydroxyoctyl]isoindole-1,3-dione
CID 102589808
2-[3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxypropyl]isoindole-1,3-dione dichloride
CID 110173221

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione (CID 122154429) is 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione is CC1CSCCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione?
The InChIKey is JZOQFDXZEPGDFG-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-10-22-7-6-17(11)8-12(19)9-18-15(20)13-4-2-3-5-14(13)16(18)21/h2-5,11-12,19H,6-10H2,1H3/t11?,12-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione?
2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione has a molecular weight of 320.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 122154429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).