(10-methyl-5-oxophenothiazin-3-yl)methyl acetate

C16H15NO3S — CID 101184148

IUPAC(10-methyl-5-oxophenothiazin-3-yl)methyl acetate
SMILESCC(=O)OCc1ccc2c(c1)S(=O)c1ccccc1N2C
InChIInChI=1S/C16H15NO3S/c1-11(18)20-10-12-7-8-14-16(9-12)21(19)15-6-4-3-5-13(15)17(14)2/h3-9H,10H2,1-2H3
InChIKeyOHTHTQPEJPAUOO-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.00
Rot. Bonds2

About (10-methyl-5-oxophenothiazin-3-yl)methyl acetate

(10-methyl-5-oxophenothiazin-3-yl)methyl acetate (PubChem CID 101184148) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (10-methyl-5-oxophenothiazin-3-yl)methyl acetate.

Molecular Properties

Compound Name(10-methyl-5-oxophenothiazin-3-yl)methyl acetate
PubChem CID101184148
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name(10-methyl-5-oxophenothiazin-3-yl)methyl acetate
SMILESCC(=O)OCc1ccc2c(c1)S(=O)c1ccccc1N2C
InChIInChI=1S/C16H15NO3S/c1-11(18)20-10-12-7-8-14-16(9-12)21(19)15-6-4-3-5-13(15)17(14)2/h3-9H,10H2,1-2H3
InChIKeyOHTHTQPEJPAUOO-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10-methyl-5-oxophenothiazin-3-yl)methyl acetate?
The IUPAC name of (10-methyl-5-oxophenothiazin-3-yl)methyl acetate (CID 101184148) is (10-methyl-5-oxophenothiazin-3-yl)methyl acetate.
What is the SMILES notation for (10-methyl-5-oxophenothiazin-3-yl)methyl acetate?
The canonical SMILES for (10-methyl-5-oxophenothiazin-3-yl)methyl acetate is CC(=O)OCc1ccc2c(c1)S(=O)c1ccccc1N2C.
What is the InChIKey of (10-methyl-5-oxophenothiazin-3-yl)methyl acetate?
The InChIKey is OHTHTQPEJPAUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-11(18)20-10-12-7-8-14-16(9-12)21(19)15-6-4-3-5-13(15)17(14)2/h3-9H,10H2,1-2H3.
What are the key properties of (10-methyl-5-oxophenothiazin-3-yl)methyl acetate?
(10-methyl-5-oxophenothiazin-3-yl)methyl acetate has a molecular weight of 301.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methyl-5-oxophenothiazin-3-yl)methyl acetate is sourced from PubChem (CID 101184148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).