dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium

C18H20N3S2+ — CID 10026339

IUPACdimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium
SMILESC[N+](C)=c1ccc2nc3ccc(N4CCSCC4)cc3sc-2c1
InChIInChI=1S/C18H20N3S2/c1-20(2)13-3-5-15-17(11-13)23-18-12-14(4-6-16(18)19-15)21-7-9-22-10-8-21/h3-6,11-12H,7-10H2,1-2H3/q+1
InChIKeyYBGFDPAFOVVDGH-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.99
Rot. Bonds1

About dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium

dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium (PubChem CID 10026339) has the molecular formula C18H20N3S2+ and a molecular weight of 342.51 g/mol. Its IUPAC name is dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium
PubChem CID10026339
Molecular FormulaC18H20N3S2+
Molecular Weight342.51 g/mol
Exact Mass342.11
IUPAC Namedimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium
SMILESC[N+](C)=c1ccc2nc3ccc(N4CCSCC4)cc3sc-2c1
InChIInChI=1S/C18H20N3S2/c1-20(2)13-3-5-15-17(11-13)23-18-12-14(4-6-16(18)19-15)21-7-9-22-10-8-21/h3-6,11-12H,7-10H2,1-2H3/q+1
InChIKeyYBGFDPAFOVVDGH-UHFFFAOYSA-N
XLogP2.99
TPSA19.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(7-thiomorpholin-4-ylphenoxazin-3-ylidene)azanium
CID 24882278
dimethyl-(7-thiomorpholin-4-ylphenoxazin-3-ylidene)azanium chloride
CID 24882277
(7-aminophenothiazin-3-ylidene)-dimethylazanium chloride
CID 13735
[7-(diethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride
CID 2753311
[7-[tert-butyl(methyl)amino]phenothiazin-3-ylidene]-dimethylazanium
CID 171469979
7-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)phenothiazin-3-one
CID 170982103
3-piperazin-1-ium-1-ylidene-7-piperazin-1-ylphenothiazine
CID 3655944
[7-[2-azaniumylethyl(methyl)amino]phenothiazin-3-ylidene]-dimethylazanium
CID 101465375
(7-amino-8-tert-butylphenothiazin-3-ylidene)-dimethylazanium
CID 53391324
7-(azetidin-1-yl)-2-propylphenothiazin-3-one
CID 134318200
7-piperidin-1-yl-2-propylphenothiazin-3-one
CID 134318187
7-[(1S,5R)-8-cyclopropyl-3,8-diazabicyclo[3.2.1]octan-3-yl]phenothiazin-3-one
CID 170982120

Frequently Asked Questions

What is the IUPAC name of dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium?
The IUPAC name of dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium (CID 10026339) is dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium.
What is the SMILES notation for dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium?
The canonical SMILES for dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium is C[N+](C)=c1ccc2nc3ccc(N4CCSCC4)cc3sc-2c1.
What is the InChIKey of dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium?
The InChIKey is YBGFDPAFOVVDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N3S2/c1-20(2)13-3-5-15-17(11-13)23-18-12-14(4-6-16(18)19-15)21-7-9-22-10-8-21/h3-6,11-12H,7-10H2,1-2H3/q+1.
What are the key properties of dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium?
dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium has a molecular weight of 342.51 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium is sourced from PubChem (CID 10026339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).