4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine

C17H26N2O5S — CID 110634521

IUPAC4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
SMILESCOCCOCCS(=O)(=O)N1CCc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C17H26N2O5S/c1-22-10-11-24-12-13-25(20,21)19-5-4-15-2-3-16(14-17(15)19)18-6-8-23-9-7-18/h2-3,14H,4-13H2,1H3
InChIKeyYRNUWYNJJFEWSX-UHFFFAOYSA-N
MW370.47 g/mol
LogP0.88
Rot. Bonds8

About 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine

4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine (PubChem CID 110634521) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
PubChem CID110634521
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
SMILESCOCCOCCS(=O)(=O)N1CCc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C17H26N2O5S/c1-22-10-11-24-12-13-25(20,21)19-5-4-15-2-3-16(14-17(15)19)18-6-8-23-9-7-18/h2-3,14H,4-13H2,1H3
InChIKeyYRNUWYNJJFEWSX-UHFFFAOYSA-N
XLogP0.88
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 110613103
4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316150
4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316144
4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316149
4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
CID 110316285
4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
CID 110316148
4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
CID 110316286
1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634495
1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
CID 110316103
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
but-2-enedioic acid;(2S)-1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-2-amine
CID 70159458
1-propylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382378

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine?
The IUPAC name of 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine (CID 110634521) is 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine?
The canonical SMILES for 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine is COCCOCCS(=O)(=O)N1CCc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine?
The InChIKey is YRNUWYNJJFEWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-22-10-11-24-12-13-25(20,21)19-5-4-15-2-3-16(14-17(15)19)18-6-8-23-9-7-18/h2-3,14H,4-13H2,1H3.
What are the key properties of 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine?
4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine has a molecular weight of 370.47 g/mol, XLogP of 0.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine is sourced from PubChem (CID 110634521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).