bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane

C30H30N2O4S2Si — CID 59413635

IUPACbis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane
SMILESC[Si](C)(CCN1c2ccccc2S(=O)(=O)c2ccccc21)CCN1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C30H30N2O4S2Si/c1-39(2,21-19-31-23-11-3-7-15-27(23)37(33,34)28-16-8-4-12-24(28)31)22-20-32-25-13-5-9-17-29(25)38(35,36)30-18-10-6-14-26(30)32/h3-18H,19-22H2,1-2H3
InChIKeyKPOHKCYDDUMYQB-UHFFFAOYSA-N
MW574.80 g/mol
LogP6.66
Rot. Bonds6

About bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane

bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane (PubChem CID 59413635) has the molecular formula C30H30N2O4S2Si and a molecular weight of 574.80 g/mol. Its IUPAC name is bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane
PubChem CID59413635
Molecular FormulaC30H30N2O4S2Si
Molecular Weight574.80 g/mol
Exact Mass574.14
IUPAC Namebis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane
SMILESC[Si](C)(CCN1c2ccccc2S(=O)(=O)c2ccccc21)CCN1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C30H30N2O4S2Si/c1-39(2,21-19-31-23-11-3-7-15-27(23)37(33,34)28-16-8-4-12-24(28)31)22-20-32-25-13-5-9-17-29(25)38(35,36)30-18-10-6-14-26(30)32/h3-18H,19-22H2,1-2H3
InChIKeyKPOHKCYDDUMYQB-UHFFFAOYSA-N
XLogP6.66
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.80
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-5,5-dioxophenothiazin-10-yl)propyl-trimethylazanium bromide
CID 67713021
1-bromo-10-ethylphenothiazine 5,5-dioxide
CID 174917931
ethane;3-methyl-1,1-dioxo-1,3-benzothiazol-2-one
CID 91272415
3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine oxide;hydrochloride
CID 129318740
2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20944781
10-methyl-5,5-dioxophenothiazin-3-amine
CID 10244354
sodium 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-olate
CID 44891109
N,N-diethyl-2-(4,5,5-trioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide
CID 3074411
N,N-diethyl-2-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide
CID 3079888
2-(5,5-dioxophenothiazin-10-yl)-N-(3-methylphenyl)acetamide
CID 20944783
ethyl 2-(5,5-dioxophenothiazin-10-yl)-2-oxoacetate
CID 66507132
2-(10-methyl-5,5-dioxophenothiazin-2-yl)-2-oxoacetic acid
CID 151297864

Frequently Asked Questions

What is the IUPAC name of bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane?
The IUPAC name of bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane (CID 59413635) is bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane.
What is the SMILES notation for bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane?
The canonical SMILES for bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane is C[Si](C)(CCN1c2ccccc2S(=O)(=O)c2ccccc21)CCN1c2ccccc2S(=O)(=O)c2ccccc21.
What is the InChIKey of bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane?
The InChIKey is KPOHKCYDDUMYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4S2Si/c1-39(2,21-19-31-23-11-3-7-15-27(23)37(33,34)28-16-8-4-12-24(28)31)22-20-32-25-13-5-9-17-29(25)38(35,36)30-18-10-6-14-26(30)32/h3-18H,19-22H2,1-2H3.
What are the key properties of bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane?
bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane has a molecular weight of 574.80 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(5,5-dioxophenothiazin-10-yl)ethyl]-dimethylsilane is sourced from PubChem (CID 59413635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).