N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine

C13H25N3OS — CID 137000888

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCCN1CCOC(C/N=C2/NC(C)(C)CCS2)C1
InChIInChI=1S/C13H25N3OS/c1-4-16-6-7-17-11(10-16)9-14-12-15-13(2,3)5-8-18-12/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyQCFCBDALUNEPDK-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.57
Rot. Bonds3

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

N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 137000888) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID137000888
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCCN1CCOC(C/N=C2/NC(C)(C)CCS2)C1
InChIInChI=1S/C13H25N3OS/c1-4-16-6-7-17-11(10-16)9-14-12-15-13(2,3)5-8-18-12/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyQCFCBDALUNEPDK-UHFFFAOYSA-N
XLogP1.57
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine with MolForge

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984950
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136989165
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136985047
2,4-diethylmorpholine
CID 58988021
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 79164858
4,4-dimethyl-N-(1-propylpiperidin-4-yl)-1,3-thiazinan-2-imine
CID 136984936
4-ethyl-2-propylmorpholine
CID 127673597
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 114401595
4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine
CID 107385569
[1-[(4-ethylmorpholin-2-yl)methyl]-4-methylpiperidin-4-yl]methanamine
CID 107160487

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine (CID 137000888) is N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine is CCN1CCOC(C/N=C2/NC(C)(C)CCS2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is QCFCBDALUNEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-4-16-6-7-17-11(10-16)9-14-12-15-13(2,3)5-8-18-12/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 271.43 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-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 137000888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).