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

C12H22N2O2S — CID 136933426

IUPAC4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC2(OC)CCOC2)N1
InChIInChI=1S/C12H22N2O2S/c1-3-10-4-7-17-11(14-10)13-8-12(15-2)5-6-16-9-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyZTGPKDSJLCLOKH-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.65
Rot. Bonds4

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

4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136933426) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine
PubChem CID136933426
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC2(OC)CCOC2)N1
InChIInChI=1S/C12H22N2O2S/c1-3-10-4-7-17-11(14-10)13-8-12(15-2)5-6-16-9-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyZTGPKDSJLCLOKH-UHFFFAOYSA-N
XLogP1.65
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 137016836
N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136817020
4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine
CID 136723626
4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136762623
5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 113450811
4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933276
N-(2,3-dimethylbutyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933357
4-ethyl-N-octyl-1,3-thiazinan-2-imine
CID 136933398
4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine
CID 137001860
4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819417
N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136696721
4-ethyl-N-(3-propoxypropyl)-1,3-thiazinan-2-imine
CID 136933402

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine (CID 136933426) is 4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CC2(OC)CCOC2)N1.
What is the InChIKey of 4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is ZTGPKDSJLCLOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-10-4-7-17-11(14-10)13-8-12(15-2)5-6-16-9-12/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine?
4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 258.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136933426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).