(2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H13FN2O3S — CID 43581719

IUPAC(2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(F)cc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H13FN2O3S/c12-8-1-2-10(13)9(7-8)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6,13H2
InChIKeyFKCRHODDHFYPIO-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.28
Rot. Bonds1

About (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 43581719) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID43581719
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name(2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(F)cc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H13FN2O3S/c12-8-1-2-10(13)9(7-8)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6,13H2
InChIKeyFKCRHODDHFYPIO-UHFFFAOYSA-N
XLogP0.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 43581719) is (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Nc1ccc(F)cc1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is FKCRHODDHFYPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-8-1-2-10(13)9(7-8)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6,13H2.
What are the key properties of (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 272.30 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 43581719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).