3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide

C12H16FN3OS — CID 43210695

IUPAC3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCSCC2)c(F)c1
InChIInChI=1S/C12H16FN3OS/c13-11-7-9(12(14)15-17)1-2-10(11)8-16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2,(H2,14,15)
InChIKeyNADYOPHHMRTWDG-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.47
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide (PubChem CID 43210695) has the molecular formula C12H16FN3OS and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide
PubChem CID43210695
Molecular FormulaC12H16FN3OS
Molecular Weight269.35 g/mol
Exact Mass269.10
IUPAC Name3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCSCC2)c(F)c1
InChIInChI=1S/C12H16FN3OS/c13-11-7-9(12(14)15-17)1-2-10(11)8-16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2,(H2,14,15)
InChIKeyNADYOPHHMRTWDG-UHFFFAOYSA-N
XLogP1.47
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.47
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

3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24693205
3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 24694417
4-[(dipropylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24694960
3-fluoro-N'-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24696776
4-(diethylaminomethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24697411
3-fluoro-N'-hydroxy-4-(pyrrolidin-1-ylmethyl)benzenecarboximidamide
CID 24697536
3-fluoro-N'-hydroxy-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24697594
3-Fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24697828
3-Fluoro-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 24698045
4-[(3,5-Dimethylpiperidin-1-yl)methyl]-3-fluorobenzenecarboximidamide
CID 24698189
3-fluoro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24699490
3-fluoro-N'-hydroxy-4-[(2-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24703298

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide (CID 43210695) is 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(CN2CCSCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide?
The InChIKey is NADYOPHHMRTWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3OS/c13-11-7-9(12(14)15-17)1-2-10(11)8-16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2,(H2,14,15).
What are the key properties of 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide has a molecular weight of 269.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(thiomorpholin-4-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 43210695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).