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

C22H32N2O2S2 — CID 170871185

IUPAC4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine
SMILESc1cc(-c2ccc(CCCN3CCOCC3)s2)sc1CCCN1CCOCC1
InChIInChI=1S/C22H32N2O2S2/c1(9-23-11-15-25-16-12-23)3-19-5-7-21(27-19)22-8-6-20(28-22)4-2-10-24-13-17-26-18-14-24/h5-8H,1-4,9-18H2
InChIKeyXSMTXQXVKBQHER-UHFFFAOYSA-N
MW420.64 g/mol
LogP4.01
Rot. Bonds9

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

4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine (PubChem CID 170871185) has the molecular formula C22H32N2O2S2 and a molecular weight of 420.64 g/mol. Its IUPAC name is 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine
PubChem CID170871185
Molecular FormulaC22H32N2O2S2
Molecular Weight420.64 g/mol
Exact Mass420.19
IUPAC Name4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine
SMILESc1cc(-c2ccc(CCCN3CCOCC3)s2)sc1CCCN1CCOCC1
InChIInChI=1S/C22H32N2O2S2/c1(9-23-11-15-25-16-12-23)3-19-5-7-21(27-19)22-8-6-20(28-22)4-2-10-24-13-17-26-18-14-24/h5-8H,1-4,9-18H2
InChIKeyXSMTXQXVKBQHER-UHFFFAOYSA-N
XLogP4.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.64
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine with MolForge

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Related Compounds

4-[[5-(Morpholin-4-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 134109842
4-(5-(5-(Morpholinosulfonyl)thiophen-2-yl)thiophen-2-ylsulfonyl)morpholine
CID 2739885
(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
2-[4-(Dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol
CID 20575155
4-(4-Thiophen-2-ylbutyl)morpholine
CID 23438252
4-(Dithiophen-2-ylmethylidene)-1-(2-hexoxyethyl)piperidine
CID 23464711
4-[(2,5-Dihexylthiophen-3-yl)-thiophen-3-ylmethylidene]-1-(2-methoxyethyl)piperidine
CID 23464713
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
4-(Di-2-thienyl-methylene)-N-(2-cyclopentyloxy-ethyl)-piperidine
CID 23464741

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine (CID 170871185) is 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine is c1cc(-c2ccc(CCCN3CCOCC3)s2)sc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine?
The InChIKey is XSMTXQXVKBQHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S2/c1(9-23-11-15-25-16-12-23)3-19-5-7-21(27-19)22-8-6-20(28-22)4-2-10-24-13-17-26-18-14-24/h5-8H,1-4,9-18H2.
What are the key properties of 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine?
4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine has a molecular weight of 420.64 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[5-(3-morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine is sourced from PubChem (CID 170871185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).