4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine

C16H21NO2S — CID 153402706

IUPAC4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine
SMILESc1cc2ccc(OCCCCN3CCOCC3)cc2s1
InChIInChI=1S/C16H21NO2S/c1(6-17-7-10-18-11-8-17)2-9-19-15-4-3-14-5-12-20-16(14)13-15/h3-5,12-13H,1-2,6-11H2
InChIKeySFXYELUJMQERSJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.39
Rot. Bonds6

About 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine

4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine (PubChem CID 153402706) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine
PubChem CID153402706
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine
SMILESc1cc2ccc(OCCCCN3CCOCC3)cc2s1
InChIInChI=1S/C16H21NO2S/c1(6-17-7-10-18-11-8-17)2-9-19-15-4-3-14-5-12-20-16(14)13-15/h3-5,12-13H,1-2,6-11H2
InChIKeySFXYELUJMQERSJ-UHFFFAOYSA-N
XLogP3.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine
CID 146386383
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone
CID 69069513
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[2-[2-(2-methylquinolin-7-yl)oxyethoxy]ethyl]morpholine
CID 145139266
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-(2-imidazo[2,1-b][1,3]benzothiazol-6-yloxyethyl)morpholine
CID 141281186
6-(5-morpholin-4-ylpentoxy)chromen-4-one
CID 162664969
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]quinoline
CID 122172695
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine?
The IUPAC name of 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine (CID 153402706) is 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine?
The canonical SMILES for 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine is c1cc2ccc(OCCCCN3CCOCC3)cc2s1.
What is the InChIKey of 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine?
The InChIKey is SFXYELUJMQERSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1(6-17-7-10-18-11-8-17)2-9-19-15-4-3-14-5-12-20-16(14)13-15/h3-5,12-13H,1-2,6-11H2.
What are the key properties of 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine?
4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine has a molecular weight of 291.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine is sourced from PubChem (CID 153402706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).