4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine

C20H24N2O3S — CID 110316285

IUPAC4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
SMILESO=S(=O)(CCc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C20H24N2O3S/c23-26(24,15-9-17-4-2-1-3-5-17)22-10-8-18-16-19(6-7-20(18)22)21-11-13-25-14-12-21/h1-7,16H,8-15H2
InChIKeyRFPIQMMIXJPELY-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.46
Rot. Bonds5

About 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine

4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine (PubChem CID 110316285) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
PubChem CID110316285
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
SMILESO=S(=O)(CCc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C20H24N2O3S/c23-26(24,15-9-17-4-2-1-3-5-17)22-10-8-18-16-19(6-7-20(18)22)21-11-13-25-14-12-21/h1-7,16H,8-15H2
InChIKeyRFPIQMMIXJPELY-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
CID 110316286
1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 60531722
1-(2-phenylethylsulfonyl)-2,3-dihydroindol-6-amine
CID 28707123
1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316048
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
CID 110634521
4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316294
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 110316221
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine?
The IUPAC name of 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine (CID 110316285) is 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine.
What is the SMILES notation for 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine?
The canonical SMILES for 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine is O=S(=O)(CCc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine?
The InChIKey is RFPIQMMIXJPELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-26(24,15-9-17-4-2-1-3-5-17)22-10-8-18-16-19(6-7-20(18)22)21-11-13-25-14-12-21/h1-7,16H,8-15H2.
What are the key properties of 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine?
4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine has a molecular weight of 372.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine is sourced from PubChem (CID 110316285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).