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

C12H23N3OS — CID 136755260

IUPAC4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCN2CCOCC2)N1
InChIInChI=1S/C12H23N3OS/c1-10-9-11(2)17-12(14-10)13-3-4-15-5-7-16-8-6-15/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyFOSNGTVRHWHJQX-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.18
Rot. Bonds3

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

4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine (PubChem CID 136755260) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
PubChem CID136755260
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCN2CCOCC2)N1
InChIInChI=1S/C12H23N3OS/c1-10-9-11(2)17-12(14-10)13-3-4-15-5-7-16-8-6-15/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyFOSNGTVRHWHJQX-UHFFFAOYSA-N
XLogP1.18
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.18
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

4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136755275
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934635
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzothiazol-2-imine
CID 140917809
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
4,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934636
N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871672
N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746906
4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
CID 136723694
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine (CID 136755260) is 4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CCN2CCOCC2)N1.
What is the InChIKey of 4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine?
The InChIKey is FOSNGTVRHWHJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10-9-11(2)17-12(14-10)13-3-4-15-5-7-16-8-6-15/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine has a molecular weight of 257.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).