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

C21H26N2O3S — CID 110316286

IUPAC4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
SMILESO=S(=O)(CCCc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C21H26N2O3S/c24-27(25,16-4-7-18-5-2-1-3-6-18)23-11-10-19-17-20(8-9-21(19)23)22-12-14-26-15-13-22/h1-3,5-6,8-9,17H,4,7,10-16H2
InChIKeyBABDKWOCWBUGIS-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.85
Rot. Bonds6

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

4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine (PubChem CID 110316286) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
PubChem CID110316286
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
SMILESO=S(=O)(CCCc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C21H26N2O3S/c24-27(25,16-4-7-18-5-2-1-3-6-18)23-11-10-19-17-20(8-9-21(19)23)22-12-14-26-15-13-22/h1-3,5-6,8-9,17H,4,7,10-16H2
InChIKeyBABDKWOCWBUGIS-UHFFFAOYSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.85
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-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
CID 110316285
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 60531722
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-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110634578
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
1-(2-phenylethylsulfonyl)-2,3-dihydroindol-6-amine
CID 28707123
1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
CID 167545122
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine?
The IUPAC name of 4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine (CID 110316286) is 4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine.
What is the SMILES notation for 4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine?
The canonical SMILES for 4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine is O=S(=O)(CCCc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine?
The InChIKey is BABDKWOCWBUGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-27(25,16-4-7-18-5-2-1-3-6-18)23-11-10-19-17-20(8-9-21(19)23)22-12-14-26-15-13-22/h1-3,5-6,8-9,17H,4,7,10-16H2.
What are the key properties of 4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine?
4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine has a molecular weight of 386.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine is sourced from PubChem (CID 110316286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).