2-thiomorpholin-4-ylbenzo[h]chromen-4-one

C17H15NO2S — CID 11174002

IUPAC2-thiomorpholin-4-ylbenzo[h]chromen-4-one
SMILESO=c1cc(N2CCSCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C17H15NO2S/c19-15-11-16(18-7-9-21-10-8-18)20-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
InChIKeyIIWOVJPSKUAWDA-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.50
Rot. Bonds1

About 2-thiomorpholin-4-ylbenzo[h]chromen-4-one

2-thiomorpholin-4-ylbenzo[h]chromen-4-one (PubChem CID 11174002) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-thiomorpholin-4-ylbenzo[h]chromen-4-one
PubChem CID11174002
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name2-thiomorpholin-4-ylbenzo[h]chromen-4-one
SMILESO=c1cc(N2CCSCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C17H15NO2S/c19-15-11-16(18-7-9-21-10-8-18)20-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
InChIKeyIIWOVJPSKUAWDA-UHFFFAOYSA-N
XLogP3.50
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylbenzo[h]chromen-4-one?
The IUPAC name of 2-thiomorpholin-4-ylbenzo[h]chromen-4-one (CID 11174002) is 2-thiomorpholin-4-ylbenzo[h]chromen-4-one.
What is the SMILES notation for 2-thiomorpholin-4-ylbenzo[h]chromen-4-one?
The canonical SMILES for 2-thiomorpholin-4-ylbenzo[h]chromen-4-one is O=c1cc(N2CCSCC2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-thiomorpholin-4-ylbenzo[h]chromen-4-one?
The InChIKey is IIWOVJPSKUAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-15-11-16(18-7-9-21-10-8-18)20-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2.
What are the key properties of 2-thiomorpholin-4-ylbenzo[h]chromen-4-one?
2-thiomorpholin-4-ylbenzo[h]chromen-4-one has a molecular weight of 297.38 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylbenzo[h]chromen-4-one is sourced from PubChem (CID 11174002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).