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

C13H25N3OS — CID 136755275

IUPAC4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCCN2CCOCC2)N1
InChIInChI=1S/C13H25N3OS/c1-11-10-12(2)18-13(15-11)14-4-3-5-16-6-8-17-9-7-16/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyWRVBQGARLSGNFF-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.57
Rot. Bonds4

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

4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine (PubChem CID 136755275) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
PubChem CID136755275
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCCN2CCOCC2)N1
InChIInChI=1S/C13H25N3OS/c1-11-10-12(2)18-13(15-11)14-4-3-5-16-6-8-17-9-7-16/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyWRVBQGARLSGNFF-UHFFFAOYSA-N
XLogP1.57
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136755260
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-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136848061
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
N-(3-morpholin-4-ylpropyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977306
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
N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871672
4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136755362

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine (CID 136755275) is 4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CCCN2CCOCC2)N1.
What is the InChIKey of 4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine?
The InChIKey is WRVBQGARLSGNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-11-10-12(2)18-13(15-11)14-4-3-5-16-6-8-17-9-7-16/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine has a molecular weight of 271.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).