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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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).