cyclopropyl-(5-oxophenothiazin-10-yl)methanone

C16H13NO2S — CID 66507453

IUPACcyclopropyl-(5-oxophenothiazin-10-yl)methanone
SMILESO=C(C1CC1)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C16H13NO2S/c18-16(11-9-10-11)17-12-5-1-3-7-14(12)20(19)15-8-4-2-6-13(15)17/h1-8,11H,9-10H2
InChIKeyWSNRCUIIJKELNB-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.24
Rot. Bonds1

About cyclopropyl-(5-oxophenothiazin-10-yl)methanone

cyclopropyl-(5-oxophenothiazin-10-yl)methanone (PubChem CID 66507453) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is cyclopropyl-(5-oxophenothiazin-10-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-oxophenothiazin-10-yl)methanone
PubChem CID66507453
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Namecyclopropyl-(5-oxophenothiazin-10-yl)methanone
SMILESO=C(C1CC1)N1c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C16H13NO2S/c18-16(11-9-10-11)17-12-5-1-3-7-14(12)20(19)15-8-4-2-6-13(15)17/h1-8,11H,9-10H2
InChIKeyWSNRCUIIJKELNB-UHFFFAOYSA-N
XLogP3.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-oxophenothiazin-10-yl)methanone?
The IUPAC name of cyclopropyl-(5-oxophenothiazin-10-yl)methanone (CID 66507453) is cyclopropyl-(5-oxophenothiazin-10-yl)methanone.
What is the SMILES notation for cyclopropyl-(5-oxophenothiazin-10-yl)methanone?
The canonical SMILES for cyclopropyl-(5-oxophenothiazin-10-yl)methanone is O=C(C1CC1)N1c2ccccc2S(=O)c2ccccc21.
What is the InChIKey of cyclopropyl-(5-oxophenothiazin-10-yl)methanone?
The InChIKey is WSNRCUIIJKELNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-16(11-9-10-11)17-12-5-1-3-7-14(12)20(19)15-8-4-2-6-13(15)17/h1-8,11H,9-10H2.
What are the key properties of cyclopropyl-(5-oxophenothiazin-10-yl)methanone?
cyclopropyl-(5-oxophenothiazin-10-yl)methanone has a molecular weight of 283.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-oxophenothiazin-10-yl)methanone is sourced from PubChem (CID 66507453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).