4-ethyl-N-octyl-1,3-thiazinan-2-imine

C14H28N2S — CID 136933398

IUPAC4-ethyl-N-octyl-1,3-thiazinan-2-imine
SMILESCCCCCCCC/N=C1/NC(CC)CCS1
InChIInChI=1S/C14H28N2S/c1-3-5-6-7-8-9-11-15-14-16-13(4-2)10-12-17-14/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyUKLYRIPUYKGICP-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.21
Rot. Bonds8

About 4-ethyl-N-octyl-1,3-thiazinan-2-imine

4-ethyl-N-octyl-1,3-thiazinan-2-imine (PubChem CID 136933398) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-ethyl-N-octyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-octyl-1,3-thiazinan-2-imine
PubChem CID136933398
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4-ethyl-N-octyl-1,3-thiazinan-2-imine
SMILESCCCCCCCC/N=C1/NC(CC)CCS1
InChIInChI=1S/C14H28N2S/c1-3-5-6-7-8-9-11-15-14-16-13(4-2)10-12-17-14/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyUKLYRIPUYKGICP-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-pentyl-1,3-thiazolidin-2-imine
CID 135934584
4-ethyl-N-(3-propoxypropyl)-1,3-thiazinan-2-imine
CID 136933402
N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine
CID 137017283
4-ethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 136933434
4-ethyl-N-(2-methylsulfonylethyl)-1,3-thiazinan-2-imine
CID 136933241
4-ethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933327
4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
CID 136701829
4-benzyl-N-octyl-1,3-thiazolidin-2-imine
CID 136920389
N-(2,3-dimethylbutyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933357
N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136933416
4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
CID 135973739
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
CID 136933263

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-octyl-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-octyl-1,3-thiazinan-2-imine (CID 136933398) is 4-ethyl-N-octyl-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-octyl-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-octyl-1,3-thiazinan-2-imine is CCCCCCCC/N=C1/NC(CC)CCS1.
What is the InChIKey of 4-ethyl-N-octyl-1,3-thiazinan-2-imine?
The InChIKey is UKLYRIPUYKGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-5-6-7-8-9-11-15-14-16-13(4-2)10-12-17-14/h13H,3-12H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-N-octyl-1,3-thiazinan-2-imine?
4-ethyl-N-octyl-1,3-thiazinan-2-imine has a molecular weight of 256.46 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-octyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136933398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).