trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide

C18H24N2O2S — CID 12831289

IUPACtrimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide
SMILESCC(C[N+](C)(C)C)N1c2ccccc2S(=O)c2ccccc21.[OH-]
InChIInChI=1S/C18H23N2OS.H2O/c1-14(13-20(2,3)4)19-15-9-5-7-11-17(15)22(21)18-12-8-6-10-16(18)19;/h5-12,14H,13H2,1-4H3;1H2/q+1;/p-1
InChIKeyFEJBDTHMWZODMX-UHFFFAOYSA-M
MW332.47 g/mol
LogP3.22
Rot. Bonds3

About trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide

trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide (PubChem CID 12831289) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide.

Molecular Properties

Compound Nametrimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide
PubChem CID12831289
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Nametrimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide
SMILESCC(C[N+](C)(C)C)N1c2ccccc2S(=O)c2ccccc21.[OH-]
InChIInChI=1S/C18H23N2OS.H2O/c1-14(13-20(2,3)4)19-15-9-5-7-11-17(15)22(21)18-12-8-6-10-16(18)19;/h5-12,14H,13H2,1-4H3;1H2/q+1;/p-1
InChIKeyFEJBDTHMWZODMX-UHFFFAOYSA-M
XLogP3.22
TPSA50.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide with MolForge

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

Launch Full Analysis

Related Compounds

trimethyl-[1-(5-oxophenothiazin-10-yl)propan-2-yl]azanium iodide
CID 11744051
1-phenyl-10-propan-2-ylpyrido[3,2-b][1,4]benzothiazin-1-ium 5-oxide
CID 170420107
10-[(Z)-prop-1-enyl]phenothiazine 5-oxide
CID 14397847
1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 70474456
11-methylidene-5-propan-2-ylbenzo[b][1,4]benzothiazepin-6-one
CID 140668874
[10-(3-methylbutyl)-5-oxophenothiazin-3-yl]methanol
CID 101184161
4-(5-oxophenothiazin-10-yl)-2-(1-phenylethyl)isoindole-1,3-dione
CID 118972403
10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide
CID 59572425
2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
CID 110738197
3-methyl-10-(2-methylphenyl)phenothiazine 5-oxide
CID 59573079
[10-(3-methylbutyl)-5-oxophenothiazin-3-yl]methyl acetate
CID 101184162
(2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine
CID 169442905

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide?
The IUPAC name of trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide (CID 12831289) is trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide.
What is the SMILES notation for trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide?
The canonical SMILES for trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide is CC(C[N+](C)(C)C)N1c2ccccc2S(=O)c2ccccc21.[OH-].
What is the InChIKey of trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide?
The InChIKey is FEJBDTHMWZODMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H23N2OS.H2O/c1-14(13-20(2,3)4)19-15-9-5-7-11-17(15)22(21)18-12-8-6-10-16(18)19;/h5-12,14H,13H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide?
trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide has a molecular weight of 332.47 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(5-oxophenothiazin-10-yl)propyl]azanium hydroxide is sourced from PubChem (CID 12831289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).