N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine

C8H15FN2S — CID 137153619

IUPACN-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCF)N1
InChIInChI=1S/C8H15FN2S/c1-6-5-7(2)12-8(11-6)10-4-3-9/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyXRSFDQDOHAFTGC-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.82
Rot. Bonds2

About N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine

N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 137153619) has the molecular formula C8H15FN2S and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID137153619
Molecular FormulaC8H15FN2S
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC NameN-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCF)N1
InChIInChI=1S/C8H15FN2S/c1-6-5-7(2)12-8(11-6)10-4-3-9/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyXRSFDQDOHAFTGC-UHFFFAOYSA-N
XLogP1.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-1,3-Thiazine, tetrahydro-2-(methylimino)-
CID 135463738
N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943215
4-ethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943218
5-ethyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943221
5-propyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943236
4-methyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943238
5-methyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943251
4,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943256
N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 130729580
N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 130991565
4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine
CID 136300358
N-(2,2-difluoroethyl)-4-methyl-1,3-thiazinan-2-imine
CID 136300448

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine (CID 137153619) is N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CCF)N1.
What is the InChIKey of N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is XRSFDQDOHAFTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2S/c1-6-5-7(2)12-8(11-6)10-4-3-9/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 190.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 137153619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).