4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine

C15H28N2S — CID 136933276

IUPAC4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCC(C/N=C2/NC(CC)CCS2)CC1
InChIInChI=1S/C15H28N2S/c1-3-12-5-7-13(8-6-12)11-16-15-17-14(4-2)9-10-18-15/h12-14H,3-11H2,1-2H3,(H,16,17)
InChIKeyXQJSSCPGGCYCJF-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.06
Rot. Bonds4

About 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine

4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136933276) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine
PubChem CID136933276
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCC(C/N=C2/NC(CC)CCS2)CC1
InChIInChI=1S/C15H28N2S/c1-3-12-5-7-13(8-6-12)11-16-15-17-14(4-2)9-10-18-15/h12-14H,3-11H2,1-2H3,(H,16,17)
InChIKeyXQJSSCPGGCYCJF-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.06
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

4-ethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933327
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
CID 136933263
N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine
CID 137017283
4-ethyl-N-octyl-1,3-thiazinan-2-imine
CID 136933398
N-(2,3-dimethylbutyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933357
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine
CID 136933344
4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136762623
4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
CID 135998385
4-ethyl-N-(2-methylsulfonylethyl)-1,3-thiazinan-2-imine
CID 136933241
4-ethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 136933434
4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867396
4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine
CID 137001860

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine (CID 136933276) is 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine is CCC1CCC(C/N=C2/NC(CC)CCS2)CC1.
What is the InChIKey of 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is XQJSSCPGGCYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-3-12-5-7-13(8-6-12)11-16-15-17-14(4-2)9-10-18-15/h12-14H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine?
4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 268.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136933276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).