1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one

C16H23NOS2 — CID 24843954

IUPAC1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one
SMILESCCCSc1ccc(C(=O)CCN2CCSCC2)cc1
InChIInChI=1S/C16H23NOS2/c1-2-11-20-15-5-3-14(4-6-15)16(18)7-8-17-9-12-19-13-10-17/h3-6H,2,7-13H2,1H3
InChIKeyYSWMTOQRMSPTFR-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.81
Rot. Bonds7

About 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one

1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one (PubChem CID 24843954) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one
PubChem CID24843954
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC Name1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one
SMILESCCCSc1ccc(C(=O)CCN2CCSCC2)cc1
InChIInChI=1S/C16H23NOS2/c1-2-11-20-15-5-3-14(4-6-15)16(18)7-8-17-9-12-19-13-10-17/h3-6H,2,7-13H2,1H3
InChIKeyYSWMTOQRMSPTFR-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one (CID 24843954) is 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one is CCCSc1ccc(C(=O)CCN2CCSCC2)cc1.
What is the InChIKey of 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one?
The InChIKey is YSWMTOQRMSPTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS2/c1-2-11-20-15-5-3-14(4-6-15)16(18)7-8-17-9-12-19-13-10-17/h3-6H,2,7-13H2,1H3.
What are the key properties of 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one?
1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one has a molecular weight of 309.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 24843954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).