4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide

C13H15NO3S — CID 22092322

IUPAC4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=Cc2c(CN3CCOCC3)cccc21
InChIInChI=1S/C13H15NO3S/c15-18(16)9-4-12-11(2-1-3-13(12)18)10-14-5-7-17-8-6-14/h1-4,9H,5-8,10H2
InChIKeySJUUKVMKVHCMBJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.28
Rot. Bonds2

About 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide

4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide (PubChem CID 22092322) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
PubChem CID22092322
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=Cc2c(CN3CCOCC3)cccc21
InChIInChI=1S/C13H15NO3S/c15-18(16)9-4-12-11(2-1-3-13(12)18)10-14-5-7-17-8-6-14/h1-4,9H,5-8,10H2
InChIKeySJUUKVMKVHCMBJ-UHFFFAOYSA-N
XLogP1.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol
CID 117172542
4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
CID 117172546
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
3-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophene-4-carboxylic acid
CID 117170749
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
CID 131887032
CID 131887032
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
CID 53488026
(1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane
CID 22091918
3-(morpholin-4-ylmethyl)-2-phenylphenol
CID 174703576
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide (CID 22092322) is 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide is O=S1(=O)C=Cc2c(CN3CCOCC3)cccc21.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
The InChIKey is SJUUKVMKVHCMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-18(16)9-4-12-11(2-1-3-13(12)18)10-14-5-7-17-8-6-14/h1-4,9H,5-8,10H2.
What are the key properties of 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide has a molecular weight of 265.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 22092322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).