3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine

C30H46N2O3S — CID 67164645

IUPAC3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1ccc2c(c1)-c1ccc(OCCCN(CCC)CCC)cc1S2=O
InChIInChI=1S/C30H46N2O3S/c1-5-15-31(16-6-2)19-9-21-34-25-12-14-29-28(23-25)27-13-11-26(24-30(27)36(29)33)35-22-10-20-32(17-7-3)18-8-4/h11-14,23-24H,5-10,15-22H2,1-4H3
InChIKeyFVVAYNLVMMTAGH-UHFFFAOYSA-N
MW514.78 g/mol
LogP6.62
Rot. Bonds18

About 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine

3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine (PubChem CID 67164645) has the molecular formula C30H46N2O3S and a molecular weight of 514.78 g/mol. Its IUPAC name is 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine
PubChem CID67164645
Molecular FormulaC30H46N2O3S
Molecular Weight514.78 g/mol
Exact Mass514.32
IUPAC Name3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOc1ccc2c(c1)-c1ccc(OCCCN(CCC)CCC)cc1S2=O
InChIInChI=1S/C30H46N2O3S/c1-5-15-31(16-6-2)19-9-21-34-25-12-14-29-28(23-25)27-13-11-26(24-30(27)36(29)33)35-22-10-20-32(17-7-3)18-8-4/h11-14,23-24H,5-10,15-22H2,1-4H3
InChIKeyFVVAYNLVMMTAGH-UHFFFAOYSA-N
XLogP6.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.78
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
CID 154339493
N-[2-[5-oxo-7-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67163153
3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine
CID 67163442
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
2,7-bis[3-(azetidin-1-yl)propoxy]dibenzothiophene 5-oxide
CID 67163008
N-methyl-2-[7-[2-(methylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxyethanamine
CID 67163505
N-[2-[5-oxo-8-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67164021
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221
N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine
CID 88785633
3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine
CID 22012920

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine (CID 67164645) is 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCOc1ccc2c(c1)-c1ccc(OCCCN(CCC)CCC)cc1S2=O.
What is the InChIKey of 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine?
The InChIKey is FVVAYNLVMMTAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N2O3S/c1-5-15-31(16-6-2)19-9-21-34-25-12-14-29-28(23-25)27-13-11-26(24-30(27)36(29)33)35-22-10-20-32(17-7-3)18-8-4/h11-14,23-24H,5-10,15-22H2,1-4H3.
What are the key properties of 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine?
3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine has a molecular weight of 514.78 g/mol, XLogP of 6.62, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 67164645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).