4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine

C10H19FN2S — CID 137243158

IUPAC4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CCF)N1
InChIInChI=1S/C10H19FN2S/c1-10(2,3)8-4-7-14-9(13-8)12-6-5-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyHIZZKWVZYGIKOF-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.45
Rot. Bonds2

About 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine

4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine (PubChem CID 137243158) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine
PubChem CID137243158
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC Name4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CCF)N1
InChIInChI=1S/C10H19FN2S/c1-10(2,3)8-4-7-14-9(13-8)12-6-5-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyHIZZKWVZYGIKOF-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.45
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

5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 105943247
4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352463
4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352496
5,5-diethyl-N-(4,4,4-trifluorobutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 114164261
4-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177366
N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 130504498
4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136755474
4-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine
CID 136842351
4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine
CID 136848032
4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine
CID 136848033
4-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine
CID 136848257

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine (CID 137243158) is 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine is CC(C)(C)C1CCS/C(=N\CCF)N1.
What is the InChIKey of 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine?
The InChIKey is HIZZKWVZYGIKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c1-10(2,3)8-4-7-14-9(13-8)12-6-5-11/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine?
4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine has a molecular weight of 218.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 137243158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).