cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone

C16H13NO3S — CID 66507618

IUPACcyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone
SMILESO=C(C1CC1)N1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C16H13NO3S/c18-16(11-9-10-11)17-12-5-1-3-7-14(12)21(19,20)15-8-4-2-6-13(15)17/h1-8,11H,9-10H2
InChIKeyYYQJUAFUAXSIJA-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.91
Rot. Bonds1

About cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone

cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone (PubChem CID 66507618) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone
PubChem CID66507618
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Namecyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone
SMILESO=C(C1CC1)N1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C16H13NO3S/c18-16(11-9-10-11)17-12-5-1-3-7-14(12)21(19,20)15-8-4-2-6-13(15)17/h1-8,11H,9-10H2
InChIKeyYYQJUAFUAXSIJA-UHFFFAOYSA-N
XLogP2.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(5-oxophenothiazin-10-yl)methanone
CID 66507453
(5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone
CID 66507232
cyclobutyl-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)methanone
CID 110713013
ethyl 2-(5,5-dioxophenothiazin-10-yl)-2-oxoacetate
CID 66507132
1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide
CID 53299026
1-(5,5-dioxophenothiazin-10-yl)-2-piperazin-1-ylpropan-1-one
CID 16640166
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
2-(2-cyclopropyl-2-oxoethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 63902877
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
CID 110876555
10-triphenylen-2-ylphenothiazine 5,5-dioxide
CID 141391084
cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone?
The IUPAC name of cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone (CID 66507618) is cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone.
What is the SMILES notation for cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone?
The canonical SMILES for cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone is O=C(C1CC1)N1c2ccccc2S(=O)(=O)c2ccccc21.
What is the InChIKey of cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone?
The InChIKey is YYQJUAFUAXSIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-16(11-9-10-11)17-12-5-1-3-7-14(12)21(19,20)15-8-4-2-6-13(15)17/h1-8,11H,9-10H2.
What are the key properties of cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone?
cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone has a molecular weight of 299.35 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone is sourced from PubChem (CID 66507618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).