6-(dibenzothiophene-2-carbonyl)morpholin-2-one

C17H13NO3S — CID 15717744

IUPAC6-(dibenzothiophene-2-carbonyl)morpholin-2-one
SMILESO=C1CNCC(C(=O)c2ccc3sc4ccccc4c3c2)O1
InChIInChI=1S/C17H13NO3S/c19-16-9-18-8-13(21-16)17(20)10-5-6-15-12(7-10)11-3-1-2-4-14(11)22-15/h1-7,13,18H,8-9H2
InChIKeyQKGADKXRYPKGHR-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.75
Rot. Bonds2

About 6-(dibenzothiophene-2-carbonyl)morpholin-2-one

6-(dibenzothiophene-2-carbonyl)morpholin-2-one (PubChem CID 15717744) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-(dibenzothiophene-2-carbonyl)morpholin-2-one.

Molecular Properties

Compound Name6-(dibenzothiophene-2-carbonyl)morpholin-2-one
PubChem CID15717744
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name6-(dibenzothiophene-2-carbonyl)morpholin-2-one
SMILESO=C1CNCC(C(=O)c2ccc3sc4ccccc4c3c2)O1
InChIInChI=1S/C17H13NO3S/c19-16-9-18-8-13(21-16)17(20)10-5-6-15-12(7-10)11-3-1-2-4-14(11)22-15/h1-7,13,18H,8-9H2
InChIKeyQKGADKXRYPKGHR-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dibenzothiophene-2-carbonyl)morpholin-2-one?
The IUPAC name of 6-(dibenzothiophene-2-carbonyl)morpholin-2-one (CID 15717744) is 6-(dibenzothiophene-2-carbonyl)morpholin-2-one.
What is the SMILES notation for 6-(dibenzothiophene-2-carbonyl)morpholin-2-one?
The canonical SMILES for 6-(dibenzothiophene-2-carbonyl)morpholin-2-one is O=C1CNCC(C(=O)c2ccc3sc4ccccc4c3c2)O1.
What is the InChIKey of 6-(dibenzothiophene-2-carbonyl)morpholin-2-one?
The InChIKey is QKGADKXRYPKGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-16-9-18-8-13(21-16)17(20)10-5-6-15-12(7-10)11-3-1-2-4-14(11)22-15/h1-7,13,18H,8-9H2.
What are the key properties of 6-(dibenzothiophene-2-carbonyl)morpholin-2-one?
6-(dibenzothiophene-2-carbonyl)morpholin-2-one has a molecular weight of 311.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibenzothiophene-2-carbonyl)morpholin-2-one is sourced from PubChem (CID 15717744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).