(10-butyl-5-oxophenothiazin-3-yl)methanol

C17H19NO2S — CID 101184154

IUPAC(10-butyl-5-oxophenothiazin-3-yl)methanol
SMILESCCCCN1c2ccccc2S(=O)c2cc(CO)ccc21
InChIInChI=1S/C17H19NO2S/c1-2-3-10-18-14-6-4-5-7-16(14)21(20)17-11-13(12-19)8-9-15(17)18/h4-9,11,19H,2-3,10,12H2,1H3
InChIKeyLPFRGNYRNVPIQH-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.60
Rot. Bonds4

About (10-butyl-5-oxophenothiazin-3-yl)methanol

(10-butyl-5-oxophenothiazin-3-yl)methanol (PubChem CID 101184154) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (10-butyl-5-oxophenothiazin-3-yl)methanol.

Molecular Properties

Compound Name(10-butyl-5-oxophenothiazin-3-yl)methanol
PubChem CID101184154
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(10-butyl-5-oxophenothiazin-3-yl)methanol
SMILESCCCCN1c2ccccc2S(=O)c2cc(CO)ccc21
InChIInChI=1S/C17H19NO2S/c1-2-3-10-18-14-6-4-5-7-16(14)21(20)17-11-13(12-19)8-9-15(17)18/h4-9,11,19H,2-3,10,12H2,1H3
InChIKeyLPFRGNYRNVPIQH-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10-butyl-5-oxophenothiazin-3-yl)methanol?
The IUPAC name of (10-butyl-5-oxophenothiazin-3-yl)methanol (CID 101184154) is (10-butyl-5-oxophenothiazin-3-yl)methanol.
What is the SMILES notation for (10-butyl-5-oxophenothiazin-3-yl)methanol?
The canonical SMILES for (10-butyl-5-oxophenothiazin-3-yl)methanol is CCCCN1c2ccccc2S(=O)c2cc(CO)ccc21.
What is the InChIKey of (10-butyl-5-oxophenothiazin-3-yl)methanol?
The InChIKey is LPFRGNYRNVPIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-3-10-18-14-6-4-5-7-16(14)21(20)17-11-13(12-19)8-9-15(17)18/h4-9,11,19H,2-3,10,12H2,1H3.
What are the key properties of (10-butyl-5-oxophenothiazin-3-yl)methanol?
(10-butyl-5-oxophenothiazin-3-yl)methanol has a molecular weight of 301.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-butyl-5-oxophenothiazin-3-yl)methanol is sourced from PubChem (CID 101184154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).