1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine

C24H30N2O2S — CID 67163021

IUPAC1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine
SMILESc1cc2c(cc1OCCN1CCCC1)sc1ccc(OCCN3CCCC3)cc12
InChIInChI=1S/C24H30N2O2S/c1-2-10-25(9-1)13-15-27-19-6-8-23-22(17-19)21-7-5-20(18-24(21)29-23)28-16-14-26-11-3-4-12-26/h5-8,17-18H,1-4,9-16H2
InChIKeyKTFUHCOXFINAAP-UHFFFAOYSA-N
MW410.58 g/mol
LogP5.00
Rot. Bonds8

About 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine

1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine (PubChem CID 67163021) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine
PubChem CID67163021
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine
SMILESc1cc2c(cc1OCCN1CCCC1)sc1ccc(OCCN3CCCC3)cc12
InChIInChI=1S/C24H30N2O2S/c1-2-10-25(9-1)13-15-27-19-6-8-23-22(17-19)21-7-5-20(18-24(21)29-23)28-16-14-26-11-3-4-12-26/h5-8,17-18H,1-4,9-16H2
InChIKeyKTFUHCOXFINAAP-UHFFFAOYSA-N
XLogP5.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[7-(3-pyrrolidin-1-ylpropoxy)dibenzothiophen-2-yl]oxypropyl]pyrrolidine
CID 67163765
2,6-bis[3-(azetidin-1-yl)propoxy]thioxanthen-9-one
CID 57439620
3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine
CID 67164998
1-[2-[7-[2-(azetidin-1-yl)ethoxy]dibenzofuran-3-yl]oxyethyl]azetidine
CID 57439372
[3,9-bis(phenylmethoxy)naphtho[2,1-b][1]benzothiol-5-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 102487917
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
1-[2-[4-[(6-methoxy-2-phenyl-1-benzothiophen-3-yl)oxy]phenoxy]ethyl]piperidine
CID 15429025
(2-phenyl-6-propoxy-1-benzothiophen-3-yl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
CID 22753381
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol;hydrochloride
CID 70272731
4-[6-methoxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenol;hydrochloride
CID 21253271
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine (CID 67163021) is 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine is c1cc2c(cc1OCCN1CCCC1)sc1ccc(OCCN3CCCC3)cc12.
What is the InChIKey of 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine?
The InChIKey is KTFUHCOXFINAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-2-10-25(9-1)13-15-27-19-6-8-23-22(17-19)21-7-5-20(18-24(21)29-23)28-16-14-26-11-3-4-12-26/h5-8,17-18H,1-4,9-16H2.
What are the key properties of 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine?
1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine has a molecular weight of 410.58 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine is sourced from PubChem (CID 67163021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).