2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline

C10H13FN2O2S — CID 43164162

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H13FN2O2S/c11-8-1-2-10(9(12)7-8)13-3-5-16(14,15)6-4-13/h1-2,7H,3-6,12H2
InChIKeyVCPZGPLXGRKJED-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.64
Rot. Bonds1

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline

2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline (PubChem CID 43164162) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline
PubChem CID43164162
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H13FN2O2S/c11-8-1-2-10(9(12)7-8)13-3-5-16(14,15)6-4-13/h1-2,7H,3-6,12H2
InChIKeyVCPZGPLXGRKJED-UHFFFAOYSA-N
XLogP0.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.64
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-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline (CID 43164162) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline is Nc1cc(F)ccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline?
The InChIKey is VCPZGPLXGRKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-8-1-2-10(9(12)7-8)13-3-5-16(14,15)6-4-13/h1-2,7H,3-6,12H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline has a molecular weight of 244.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoroaniline is sourced from PubChem (CID 43164162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).