(5-oxo-10-propylphenothiazin-3-yl)methanol

C16H17NO2S — CID 101184151

IUPAC(5-oxo-10-propylphenothiazin-3-yl)methanol
SMILESCCCN1c2ccccc2S(=O)c2cc(CO)ccc21
InChIInChI=1S/C16H17NO2S/c1-2-9-17-13-5-3-4-6-15(13)20(19)16-10-12(11-18)7-8-14(16)17/h3-8,10,18H,2,9,11H2,1H3
InChIKeyIRJXLIPNNIFJTK-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.21
Rot. Bonds3

About (5-oxo-10-propylphenothiazin-3-yl)methanol

(5-oxo-10-propylphenothiazin-3-yl)methanol (PubChem CID 101184151) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (5-oxo-10-propylphenothiazin-3-yl)methanol.

Molecular Properties

Compound Name(5-oxo-10-propylphenothiazin-3-yl)methanol
PubChem CID101184151
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(5-oxo-10-propylphenothiazin-3-yl)methanol
SMILESCCCN1c2ccccc2S(=O)c2cc(CO)ccc21
InChIInChI=1S/C16H17NO2S/c1-2-9-17-13-5-3-4-6-15(13)20(19)16-10-12(11-18)7-8-14(16)17/h3-8,10,18H,2,9,11H2,1H3
InChIKeyIRJXLIPNNIFJTK-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-10-propylphenothiazin-3-yl)methanol?
The IUPAC name of (5-oxo-10-propylphenothiazin-3-yl)methanol (CID 101184151) is (5-oxo-10-propylphenothiazin-3-yl)methanol.
What is the SMILES notation for (5-oxo-10-propylphenothiazin-3-yl)methanol?
The canonical SMILES for (5-oxo-10-propylphenothiazin-3-yl)methanol is CCCN1c2ccccc2S(=O)c2cc(CO)ccc21.
What is the InChIKey of (5-oxo-10-propylphenothiazin-3-yl)methanol?
The InChIKey is IRJXLIPNNIFJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-9-17-13-5-3-4-6-15(13)20(19)16-10-12(11-18)7-8-14(16)17/h3-8,10,18H,2,9,11H2,1H3.
What are the key properties of (5-oxo-10-propylphenothiazin-3-yl)methanol?
(5-oxo-10-propylphenothiazin-3-yl)methanol has a molecular weight of 287.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-10-propylphenothiazin-3-yl)methanol is sourced from PubChem (CID 101184151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).