2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol

C13H15NO4S — CID 117172542

IUPAC2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol
SMILESO=S1(=O)C(CN2CCOCC2)=Cc2c(O)cccc21
InChIInChI=1S/C13H15NO4S/c15-12-2-1-3-13-11(12)8-10(19(13,16)17)9-14-4-6-18-7-5-14/h1-3,8,15H,4-7,9H2
InChIKeyPYZSJQYJRNQVNZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.85
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol

2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol (PubChem CID 117172542) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol
PubChem CID117172542
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol
SMILESO=S1(=O)C(CN2CCOCC2)=Cc2c(O)cccc21
InChIInChI=1S/C13H15NO4S/c15-12-2-1-3-13-11(12)8-10(19(13,16)17)9-14-4-6-18-7-5-14/h1-3,8,15H,4-7,9H2
InChIKeyPYZSJQYJRNQVNZ-UHFFFAOYSA-N
XLogP0.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
CID 117172546
4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
CID 22092322
7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
CID 117186396
3-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophene-4-carboxylic acid
CID 117170749
3-amino-2-(morpholin-4-ylmethyl)phenol;azane
CID 69382401
3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol
CID 84696625
3-(morpholin-4-ylmethyl)-2-phenylphenol
CID 174703576
2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide
CID 142740743
2,4-difluoro-3-(morpholin-4-ylmethyl)phenol
CID 126778749
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
CID 12823160

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol?
The IUPAC name of 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol (CID 117172542) is 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol is O=S1(=O)C(CN2CCOCC2)=Cc2c(O)cccc21.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol?
The InChIKey is PYZSJQYJRNQVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c15-12-2-1-3-13-11(12)8-10(19(13,16)17)9-14-4-6-18-7-5-14/h1-3,8,15H,4-7,9H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol?
2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol has a molecular weight of 281.33 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol is sourced from PubChem (CID 117172542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).