N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine

C11H13FN2S — CID 1432087

IUPACN-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine
SMILESCN1CCCS/C1=N\c1ccccc1F
InChIInChI=1S/C11H13FN2S/c1-14-7-4-8-15-11(14)13-10-6-3-2-5-9(10)12/h2-3,5-6H,4,7-8H2,1H3/b13-11-
InChIKeyUNFVPGGLCOIHOH-QBFSEMIESA-N
MW224.30 g/mol
LogP2.88
Rot. Bonds1

About N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine

N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine (PubChem CID 1432087) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine
PubChem CID1432087
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC NameN-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine
SMILESCN1CCCS/C1=N\c1ccccc1F
InChIInChI=1S/C11H13FN2S/c1-14-7-4-8-15-11(14)13-10-6-3-2-5-9(10)12/h2-3,5-6H,4,7-8H2,1H3/b13-11-
InChIKeyUNFVPGGLCOIHOH-QBFSEMIESA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine (CID 1432087) is N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine is CN1CCCS/C1=N\c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine?
The InChIKey is UNFVPGGLCOIHOH-QBFSEMIESA-N. The full InChI is InChI=1S/C11H13FN2S/c1-14-7-4-8-15-11(14)13-10-6-3-2-5-9(10)12/h2-3,5-6H,4,7-8H2,1H3/b13-11-.
What are the key properties of N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine?
N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine has a molecular weight of 224.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 1432087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).