N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide

C14H12N2O3S — CID 10684762

IUPACN-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1N2
InChIInChI=1S/C14H12N2O3S/c1-15-14(17)9-6-7-11-13(8-9)20(18,19)12-5-3-2-4-10(12)16-11/h2-8,16H,1H3,(H,15,17)
InChIKeyMYUJIFIUBJWUKW-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.94
Rot. Bonds1

About N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide

N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide (PubChem CID 10684762) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide
PubChem CID10684762
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1N2
InChIInChI=1S/C14H12N2O3S/c1-15-14(17)9-6-7-11-13(8-9)20(18,19)12-5-3-2-4-10(12)16-11/h2-8,16H,1H3,(H,15,17)
InChIKeyMYUJIFIUBJWUKW-UHFFFAOYSA-N
XLogP1.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide?
The IUPAC name of N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide (CID 10684762) is N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide.
What is the SMILES notation for N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide?
The canonical SMILES for N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide is CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1N2.
What is the InChIKey of N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide?
The InChIKey is MYUJIFIUBJWUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-15-14(17)9-6-7-11-13(8-9)20(18,19)12-5-3-2-4-10(12)16-11/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide?
N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5,5-dioxo-10H-phenothiazine-3-carboxamide is sourced from PubChem (CID 10684762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).