3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide

C14H20FN3OS — CID 107458745

IUPAC3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
SMILESCC1SCCN(Cc2cc(C(=O)NN)ccc2F)C1C
InChIInChI=1S/C14H20FN3OS/c1-9-10(2)20-6-5-18(9)8-12-7-11(14(19)17-16)3-4-13(12)15/h3-4,7,9-10H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyGEUXQLMFMVDMIN-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.75
Rot. Bonds3

About 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide

3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide (PubChem CID 107458745) has the molecular formula C14H20FN3OS and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
PubChem CID107458745
Molecular FormulaC14H20FN3OS
Molecular Weight297.40 g/mol
Exact Mass297.13
IUPAC Name3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
SMILESCC1SCCN(Cc2cc(C(=O)NN)ccc2F)C1C
InChIInChI=1S/C14H20FN3OS/c1-9-10(2)20-6-5-18(9)8-12-7-11(14(19)17-16)3-4-13(12)15/h3-4,7,9-10H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyGEUXQLMFMVDMIN-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458460
4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 107458428
3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005
4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide
CID 107458723
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458852
3-[(2,3-dimethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067272
3-bromo-4-[(3-methylthiomorpholin-4-yl)methyl]benzohydrazide
CID 102774702
methyl 2-[2-[(2,3-dimethylthiomorpholin-4-yl)methyl]phenyl]acetate
CID 115756205
4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
CID 107459017
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide
CID 107458485
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458944

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide (CID 107458745) is 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide is CC1SCCN(Cc2cc(C(=O)NN)ccc2F)C1C.
What is the InChIKey of 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide?
The InChIKey is GEUXQLMFMVDMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3OS/c1-9-10(2)20-6-5-18(9)8-12-7-11(14(19)17-16)3-4-13(12)15/h3-4,7,9-10H,5-6,8,16H2,1-2H3,(H,17,19).
What are the key properties of 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide?
3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide has a molecular weight of 297.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).