1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one

C19H21N3O3S — CID 16640166

IUPAC1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1c2ccccc2S(=O)(=O)c2ccccc21)N1CCNCC1
InChIInChI=1S/C19H21N3O3S/c1-14(21-12-10-20-11-13-21)19(23)22-15-6-2-4-8-17(15)26(24,25)18-9-5-3-7-16(18)22/h2-9,14,20H,10-13H2,1H3
InChIKeyGFLIMFZHWONCTM-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.79
Rot. Bonds2

About 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one

1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one (PubChem CID 16640166) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one
PubChem CID16640166
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1c2ccccc2S(=O)(=O)c2ccccc21)N1CCNCC1
InChIInChI=1S/C19H21N3O3S/c1-14(21-12-10-20-11-13-21)19(23)22-15-6-2-4-8-17(15)26(24,25)18-9-5-3-7-16(18)22/h2-9,14,20H,10-13H2,1H3
InChIKeyGFLIMFZHWONCTM-UHFFFAOYSA-N
XLogP1.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one (CID 16640166) is 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one is CC(C(=O)N1c2ccccc2S(=O)(=O)c2ccccc21)N1CCNCC1.
What is the InChIKey of 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is GFLIMFZHWONCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14(21-12-10-20-11-13-21)19(23)22-15-6-2-4-8-17(15)26(24,25)18-9-5-3-7-16(18)22/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one?
1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 371.46 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 16640166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).