trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium

C18H23N2S+ — CID 6016

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IUPACtrimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium
SMILESCC(CN1c2ccccc2Sc2ccccc21)[N+](C)(C)C
InChIInChI=1S/C18H23N2S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12,14H,13H2,1-4H3/q+1
InChIKeyCDXCCYNINPIWGE-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.38
Rot. Bonds3

About trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium

trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium (PubChem CID 6016) has the molecular formula C18H23N2S+ and a molecular weight of 299.46 g/mol. Its IUPAC name is trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium.

Molecular Properties

Compound Nametrimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium
PubChem CID6016
Molecular FormulaC18H23N2S+
Molecular Weight299.46 g/mol
Exact Mass299.16
IUPAC Nametrimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium
SMILESCC(CN1c2ccccc2Sc2ccccc21)[N+](C)(C)C
InChIInChI=1S/C18H23N2S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12,14H,13H2,1-4H3/q+1
InChIKeyCDXCCYNINPIWGE-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Phenothiazine
CID 7108
Chlorpromazine
CID 2726
Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Mesoridazine
CID 4078
Promazine
CID 4926
Thioridazine
CID 5452
Prochlorperazine
CID 4917
Thiethylperazine
CID 5440
Promethazine Hydrochloride
CID 6014
Chlorpromazine Hydrochloride
CID 6240
Thioridazine Hydrochloride
CID 66062

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium?
The IUPAC name of trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium (CID 6016) is trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium.
What is the SMILES notation for trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium?
The canonical SMILES for trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium is CC(CN1c2ccccc2Sc2ccccc21)[N+](C)(C)C.
What is the InChIKey of trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium?
The InChIKey is CDXCCYNINPIWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12,14H,13H2,1-4H3/q+1.
What are the key properties of trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium?
trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium has a molecular weight of 299.46 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium is sourced from PubChem (CID 6016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).