[10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol

C17H19NO2S — CID 101184158

IUPAC[10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol
SMILESCC(C)CN1c2ccccc2S(=O)c2cc(CO)ccc21
InChIInChI=1S/C17H19NO2S/c1-12(2)10-18-14-5-3-4-6-16(14)21(20)17-9-13(11-19)7-8-15(17)18/h3-9,12,19H,10-11H2,1-2H3
InChIKeyHEATVCLMSXPDIZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.45
Rot. Bonds3

About [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol

[10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol (PubChem CID 101184158) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol.

Molecular Properties

Compound Name[10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol
PubChem CID101184158
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name[10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol
SMILESCC(C)CN1c2ccccc2S(=O)c2cc(CO)ccc21
InChIInChI=1S/C17H19NO2S/c1-12(2)10-18-14-5-3-4-6-16(14)21(20)17-9-13(11-19)7-8-15(17)18/h3-9,12,19H,10-11H2,1-2H3
InChIKeyHEATVCLMSXPDIZ-UHFFFAOYSA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol?
The IUPAC name of [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol (CID 101184158) is [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol.
What is the SMILES notation for [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol?
The canonical SMILES for [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol is CC(C)CN1c2ccccc2S(=O)c2cc(CO)ccc21.
What is the InChIKey of [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol?
The InChIKey is HEATVCLMSXPDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12(2)10-18-14-5-3-4-6-16(14)21(20)17-9-13(11-19)7-8-15(17)18/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol?
[10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol has a molecular weight of 301.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(2-methylpropyl)-5-oxophenothiazin-3-yl]methanol is sourced from PubChem (CID 101184158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).