8-phenyl-2-thiomorpholin-4-ylchromen-4-one

C19H17NO2S — CID 11324758

IUPAC8-phenyl-2-thiomorpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCSCC2)oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H17NO2S/c21-17-13-18(20-9-11-23-12-10-20)22-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyBJZCLUNKKGYDPF-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.01
Rot. Bonds2

About 8-phenyl-2-thiomorpholin-4-ylchromen-4-one

8-phenyl-2-thiomorpholin-4-ylchromen-4-one (PubChem CID 11324758) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 8-phenyl-2-thiomorpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-phenyl-2-thiomorpholin-4-ylchromen-4-one
PubChem CID11324758
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name8-phenyl-2-thiomorpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCSCC2)oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H17NO2S/c21-17-13-18(20-9-11-23-12-10-20)22-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyBJZCLUNKKGYDPF-UHFFFAOYSA-N
XLogP4.01
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-thiomorpholin-4-ylchromen-4-one?
The IUPAC name of 8-phenyl-2-thiomorpholin-4-ylchromen-4-one (CID 11324758) is 8-phenyl-2-thiomorpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-phenyl-2-thiomorpholin-4-ylchromen-4-one?
The canonical SMILES for 8-phenyl-2-thiomorpholin-4-ylchromen-4-one is O=c1cc(N2CCSCC2)oc2c(-c3ccccc3)cccc12.
What is the InChIKey of 8-phenyl-2-thiomorpholin-4-ylchromen-4-one?
The InChIKey is BJZCLUNKKGYDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c21-17-13-18(20-9-11-23-12-10-20)22-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2.
What are the key properties of 8-phenyl-2-thiomorpholin-4-ylchromen-4-one?
8-phenyl-2-thiomorpholin-4-ylchromen-4-one has a molecular weight of 323.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-thiomorpholin-4-ylchromen-4-one is sourced from PubChem (CID 11324758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).