N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide

C15H23N4OS+ — CID 172739451

IUPACN'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide
SMILESN/C(=N\c1ccccc1N1CCOCC1)[S+]1CCNCC1
InChIInChI=1S/C15H23N4OS/c16-15(21-11-5-17-6-12-21)18-13-3-1-2-4-14(13)19-7-9-20-10-8-19/h1-4,17H,5-12H2,(H2,16,18)/q+1
InChIKeyIWVWITKJTKTIRK-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.69
Rot. Bonds2

About N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide

N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide (PubChem CID 172739451) has the molecular formula C15H23N4OS+ and a molecular weight of 307.44 g/mol. Its IUPAC name is N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide
PubChem CID172739451
Molecular FormulaC15H23N4OS+
Molecular Weight307.44 g/mol
Exact Mass307.16
IUPAC NameN'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide
SMILESN/C(=N\c1ccccc1N1CCOCC1)[S+]1CCNCC1
InChIInChI=1S/C15H23N4OS/c16-15(21-11-5-17-6-12-21)18-13-3-1-2-4-14(13)19-7-9-20-10-8-19/h1-4,17H,5-12H2,(H2,16,18)/q+1
InChIKeyIWVWITKJTKTIRK-UHFFFAOYSA-N
XLogP0.69
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-piperidin-1-ylphenyl)morpholine-4-carboximidamide
CID 15746476
N'-hydroxy-2-(1,4-oxazepan-4-yl)benzenecarboximidamide
CID 55154278
N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 2356378
4-(2-methylsulfinylphenyl)morpholine
CID 173235421
2-morpholin-4-ylbenzohydrazide
CID 7148386
1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine
CID 15746242
N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613864
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111063190
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
2-amino-1-(2-morpholin-4-ylphenyl)ethanol
CID 82617214

Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide?
The IUPAC name of N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide (CID 172739451) is N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide.
What is the SMILES notation for N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide?
The canonical SMILES for N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide is N/C(=N\c1ccccc1N1CCOCC1)[S+]1CCNCC1.
What is the InChIKey of N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide?
The InChIKey is IWVWITKJTKTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N4OS/c16-15(21-11-5-17-6-12-21)18-13-3-1-2-4-14(13)19-7-9-20-10-8-19/h1-4,17H,5-12H2,(H2,16,18)/q+1.
What are the key properties of N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide?
N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide has a molecular weight of 307.44 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide is sourced from PubChem (CID 172739451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).