N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide

C13H19N3OS — CID 55117730

IUPACN'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide
SMILESN/C(CC(c1ccccc1)N1CCSCC1)=N\O
InChIInChI=1S/C13H19N3OS/c14-13(15-17)10-12(11-4-2-1-3-5-11)16-6-8-18-9-7-16/h1-5,12,17H,6-10H2,(H2,14,15)
InChIKeyFFYKFOOMPIBKDV-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.91
Rot. Bonds4

About N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide

N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide (PubChem CID 55117730) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide
PubChem CID55117730
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide
SMILESN/C(CC(c1ccccc1)N1CCSCC1)=N\O
InChIInChI=1S/C13H19N3OS/c14-13(15-17)10-12(11-4-2-1-3-5-11)16-6-8-18-9-7-16/h1-5,12,17H,6-10H2,(H2,14,15)
InChIKeyFFYKFOOMPIBKDV-UHFFFAOYSA-N
XLogP1.91
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949092
3-(4,4-dimethylazepan-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77064506
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-phenylpropanimidamide
CID 76981291
N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide
CID 112625722
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77000776
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949180
2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine
CID 62417521
N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide
CID 55117921
3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 76949126
3-(azepan-1-yl)-3-phenylpropanethioamide
CID 62779278
N'-hydroxy-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanimidamide
CID 102883736
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 76949144

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide?
The IUPAC name of N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide (CID 55117730) is N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide is N/C(CC(c1ccccc1)N1CCSCC1)=N\O.
What is the InChIKey of N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide?
The InChIKey is FFYKFOOMPIBKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c14-13(15-17)10-12(11-4-2-1-3-5-11)16-6-8-18-9-7-16/h1-5,12,17H,6-10H2,(H2,14,15).
What are the key properties of N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide?
N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide has a molecular weight of 265.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide is sourced from PubChem (CID 55117730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).