5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide

C11H14FN3OS — CID 63667633

IUPAC5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCS(=O)CC1
InChIInChI=1S/C11H14FN3OS/c12-8-1-2-10(9(7-8)11(13)14)15-3-5-17(16)6-4-15/h1-2,7H,3-6H2,(H3,13,14)
InChIKeyOVYLTJSYAPNIPN-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.68
Rot. Bonds2

About 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide

5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide (PubChem CID 63667633) has the molecular formula C11H14FN3OS and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
PubChem CID63667633
Molecular FormulaC11H14FN3OS
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC Name5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCS(=O)CC1
InChIInChI=1S/C11H14FN3OS/c12-8-1-2-10(9(7-8)11(13)14)15-3-5-17(16)6-4-15/h1-2,7H,3-6H2,(H3,13,14)
InChIKeyOVYLTJSYAPNIPN-UHFFFAOYSA-N
XLogP0.68
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 107930407
5-fluoro-2-(4-methylsulfonylpiperazin-1-yl)benzenecarboximidamide
CID 63668491
1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 54976767
5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 55232505
5-fluoro-2-(4-methylazepan-1-yl)benzenecarboximidamide
CID 63667982
3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 81294670
2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide
CID 55234312
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzonitrile
CID 63667343
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
CID 63668655
5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
CID 63776757
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide (CID 63667633) is 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N1CCS(=O)CC1.
What is the InChIKey of 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide?
The InChIKey is OVYLTJSYAPNIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3OS/c12-8-1-2-10(9(7-8)11(13)14)15-3-5-17(16)6-4-15/h1-2,7H,3-6H2,(H3,13,14).
What are the key properties of 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide?
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide has a molecular weight of 255.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide is sourced from PubChem (CID 63667633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).