N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine

C14H25N3OS — CID 136746906

IUPACN-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESC1CCC2N/C(=N/CCN3CCOCC3)SCC2C1
InChIInChI=1S/C14H25N3OS/c1-2-4-13-12(3-1)11-19-14(16-13)15-5-6-17-7-9-18-10-8-17/h12-13H,1-11H2,(H,15,16)
InChIKeyDJKWPSXDWNSVSS-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.57
Rot. Bonds3

About N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine

N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (PubChem CID 136746906) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
PubChem CID136746906
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESC1CCC2N/C(=N/CCN3CCOCC3)SCC2C1
InChIInChI=1S/C14H25N3OS/c1-2-4-13-12(3-1)11-19-14(16-13)15-5-6-17-7-9-18-10-8-17/h12-13H,1-11H2,(H,15,16)
InChIKeyDJKWPSXDWNSVSS-UHFFFAOYSA-N
XLogP1.57
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine with MolForge

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934635
N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871672
N-[2-(oxolan-3-yl)ethyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747453
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzothiazol-2-imine
CID 140917809
N-(4-methylpentyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747120
4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136755260
4,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934636
N-[2-(2-methylpyrazol-3-yl)ethyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747373
N-[2-(2,2-difluoroethoxy)ethyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136993584
N-(2,2-dimethylbutyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747376
4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride
CID 131882343
N-[3-(2-methoxyethoxy)propyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747399

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (CID 136746906) is N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is C1CCC2N/C(=N/CCN3CCOCC3)SCC2C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The InChIKey is DJKWPSXDWNSVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-2-4-13-12(3-1)11-19-14(16-13)15-5-6-17-7-9-18-10-8-17/h12-13H,1-11H2,(H,15,16).
What are the key properties of N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine has a molecular weight of 283.44 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is sourced from PubChem (CID 136746906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).