3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine

C24H34N2O3S — CID 67163442

IUPAC3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccc2c(c1)-c1cc(OCCCNCCC)ccc1S2=O
InChIInChI=1S/C24H34N2O3S/c1-3-11-25-13-5-15-28-19-7-9-23-21(17-19)22-18-20(8-10-24(22)30(23)27)29-16-6-14-26-12-4-2/h7-10,17-18,25-26H,3-6,11-16H2,1-2H3
InChIKeyXISOCSRPWAEESV-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.37
Rot. Bonds14

About 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine

3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine (PubChem CID 67163442) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine
PubChem CID67163442
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccc2c(c1)-c1cc(OCCCNCCC)ccc1S2=O
InChIInChI=1S/C24H34N2O3S/c1-3-11-25-13-5-15-28-19-7-9-23-21(17-19)22-18-20(8-10-24(22)30(23)27)29-16-6-14-26-12-4-2/h7-10,17-18,25-26H,3-6,11-16H2,1-2H3
InChIKeyXISOCSRPWAEESV-UHFFFAOYSA-N
XLogP4.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-oxo-8-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67164021
N-[2-[5-oxo-7-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67163153
N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 11463619
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine
CID 156569114
3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine
CID 67164645
N-methyl-2-[7-[2-(methylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxyethanamine
CID 67163505
N-[2-[5,5-dioxo-7-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67164379
10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one
CID 57439740
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097

Frequently Asked Questions

What is the IUPAC name of 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine?
The IUPAC name of 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine (CID 67163442) is 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine is CCCNCCCOc1ccc2c(c1)-c1cc(OCCCNCCC)ccc1S2=O.
What is the InChIKey of 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine?
The InChIKey is XISOCSRPWAEESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-3-11-25-13-5-15-28-19-7-9-23-21(17-19)22-18-20(8-10-24(22)30(23)27)29-16-6-14-26-12-4-2/h7-10,17-18,25-26H,3-6,11-16H2,1-2H3.
What are the key properties of 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine?
3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine has a molecular weight of 430.61 g/mol, XLogP of 4.37, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine is sourced from PubChem (CID 67163442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).