4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline

C18H15NO4S2 — CID 67470058

IUPAC4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline
SMILESNc1ccc(-c2sc(-c3scc4c3OCCO4)c3c2OCCO3)cc1
InChIInChI=1S/C18H15NO4S2/c19-11-3-1-10(2-4-11)16-14-15(23-8-7-22-14)18(25-16)17-13-12(9-24-17)20-5-6-21-13/h1-4,9H,5-8,19H2
InChIKeyMENUNIFYPZQYPP-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.27
Rot. Bonds2

About 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline

4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline (PubChem CID 67470058) has the molecular formula C18H15NO4S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline.

Molecular Properties

Compound Name4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline
PubChem CID67470058
Molecular FormulaC18H15NO4S2
Molecular Weight373.46 g/mol
Exact Mass373.04
IUPAC Name4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline
SMILESNc1ccc(-c2sc(-c3scc4c3OCCO4)c3c2OCCO3)cc1
InChIInChI=1S/C18H15NO4S2/c19-11-3-1-10(2-4-11)16-14-15(23-8-7-22-14)18(25-16)17-13-12(9-24-17)20-5-6-21-13/h1-4,9H,5-8,19H2
InChIKeyMENUNIFYPZQYPP-UHFFFAOYSA-N
XLogP4.27
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline?
The IUPAC name of 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline (CID 67470058) is 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline.
What is the SMILES notation for 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline?
The canonical SMILES for 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline is Nc1ccc(-c2sc(-c3scc4c3OCCO4)c3c2OCCO3)cc1.
What is the InChIKey of 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline?
The InChIKey is MENUNIFYPZQYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S2/c19-11-3-1-10(2-4-11)16-14-15(23-8-7-22-14)18(25-16)17-13-12(9-24-17)20-5-6-21-13/h1-4,9H,5-8,19H2.
What are the key properties of 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline?
4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline has a molecular weight of 373.46 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline is sourced from PubChem (CID 67470058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).