4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine

C26H40N2O2S2 — CID 170871207

IUPAC4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine
SMILESc1cc(CCCN2CCOCC2)sc1CCCCc1ccc(CCCN2CCOCC2)s1
InChIInChI=1S/C26H40N2O2S2/c1(5-23-9-11-25(31-23)7-3-13-27-15-19-29-20-16-27)2-6-24-10-12-26(32-24)8-4-14-28-17-21-30-22-18-28/h9-12H,1-8,13-22H2
InChIKeyZOOCNYQHJJOXBW-UHFFFAOYSA-N
MW476.75 g/mol
LogP4.90
Rot. Bonds13

About 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine

4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine (PubChem CID 170871207) has the molecular formula C26H40N2O2S2 and a molecular weight of 476.75 g/mol. Its IUPAC name is 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine
PubChem CID170871207
Molecular FormulaC26H40N2O2S2
Molecular Weight476.75 g/mol
Exact Mass476.25
IUPAC Name4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine
SMILESc1cc(CCCN2CCOCC2)sc1CCCCc1ccc(CCCN2CCOCC2)s1
InChIInChI=1S/C26H40N2O2S2/c1(5-23-9-11-25(31-23)7-3-13-27-15-19-29-20-16-27)2-6-24-10-12-26(32-24)8-4-14-28-17-21-30-22-18-28/h9-12H,1-8,13-22H2
InChIKeyZOOCNYQHJJOXBW-UHFFFAOYSA-N
XLogP4.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.75
LogP ≤ 54.90
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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Related Compounds

4-[[5-(Morpholin-4-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 134109842
(2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine;hydrochloride
CID 142767953
(2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine
CID 142767954
4-[3-[5-Fluoro-2-(3-morpholin-4-ylpropyl)thiophen-3-yl]propyl]morpholine
CID 170871144
4-(4-Thiophen-2-ylbutyl)morpholine
CID 23438252
4-(Dithiophen-2-ylmethylidene)-1-(2-hexoxyethyl)piperidine
CID 23464711
1-(2-Cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
CID 23464715
4-(Dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine
CID 23464717
1-(2-Butoxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
CID 23464718
4-(Dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine
CID 23464732
1-(2-Cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
CID 54353790
4-(3-Thiophen-2-ylpropyl)morpholine
CID 68502976

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine (CID 170871207) is 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine is c1cc(CCCN2CCOCC2)sc1CCCCc1ccc(CCCN2CCOCC2)s1.
What is the InChIKey of 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine?
The InChIKey is ZOOCNYQHJJOXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2S2/c1(5-23-9-11-25(31-23)7-3-13-27-15-19-29-20-16-27)2-6-24-10-12-26(32-24)8-4-14-28-17-21-30-22-18-28/h9-12H,1-8,13-22H2.
What are the key properties of 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine?
4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine has a molecular weight of 476.75 g/mol, XLogP of 4.90, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[4-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine is sourced from PubChem (CID 170871207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).