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

C17H17NO3S — CID 11290022

IUPAC(10-ethyl-5-oxophenothiazin-3-yl)methyl acetate
SMILESCCN1c2ccccc2S(=O)c2cc(COC(C)=O)ccc21
InChIInChI=1S/C17H17NO3S/c1-3-18-14-6-4-5-7-16(14)22(20)17-10-13(8-9-15(17)18)11-21-12(2)19/h4-10H,3,11H2,1-2H3
InChIKeyMMSRQYNTVLJZCY-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.39
Rot. Bonds3

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

(10-ethyl-5-oxophenothiazin-3-yl)methyl acetate (PubChem CID 11290022) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is (10-ethyl-5-oxophenothiazin-3-yl)methyl acetate.

Molecular Properties

Compound Name(10-ethyl-5-oxophenothiazin-3-yl)methyl acetate
PubChem CID11290022
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name(10-ethyl-5-oxophenothiazin-3-yl)methyl acetate
SMILESCCN1c2ccccc2S(=O)c2cc(COC(C)=O)ccc21
InChIInChI=1S/C17H17NO3S/c1-3-18-14-6-4-5-7-16(14)22(20)17-10-13(8-9-15(17)18)11-21-12(2)19/h4-10H,3,11H2,1-2H3
InChIKeyMMSRQYNTVLJZCY-UHFFFAOYSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10-ethyl-5-oxophenothiazin-3-yl)methyl acetate?
The IUPAC name of (10-ethyl-5-oxophenothiazin-3-yl)methyl acetate (CID 11290022) is (10-ethyl-5-oxophenothiazin-3-yl)methyl acetate.
What is the SMILES notation for (10-ethyl-5-oxophenothiazin-3-yl)methyl acetate?
The canonical SMILES for (10-ethyl-5-oxophenothiazin-3-yl)methyl acetate is CCN1c2ccccc2S(=O)c2cc(COC(C)=O)ccc21.
What is the InChIKey of (10-ethyl-5-oxophenothiazin-3-yl)methyl acetate?
The InChIKey is MMSRQYNTVLJZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-3-18-14-6-4-5-7-16(14)22(20)17-10-13(8-9-15(17)18)11-21-12(2)19/h4-10H,3,11H2,1-2H3.
What are the key properties of (10-ethyl-5-oxophenothiazin-3-yl)methyl acetate?
(10-ethyl-5-oxophenothiazin-3-yl)methyl acetate has a molecular weight of 315.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-ethyl-5-oxophenothiazin-3-yl)methyl acetate is sourced from PubChem (CID 11290022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).