4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine

C14H21N3S — CID 136756991

IUPAC4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCc2ccccn2)N1
InChIInChI=1S/C14H21N3S/c1-3-14(2)8-11-18-13(17-14)16-10-7-12-6-4-5-9-15-12/h4-6,9H,3,7-8,10-11H2,1-2H3,(H,16,17)
InChIKeyXVWQZOSYBNTMDF-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.88
Rot. Bonds4

About 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine

4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine (PubChem CID 136756991) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine
PubChem CID136756991
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCc2ccccn2)N1
InChIInChI=1S/C14H21N3S/c1-3-14(2)8-11-18-13(17-14)16-10-7-12-6-4-5-9-15-12/h4-6,9H,3,7-8,10-11H2,1-2H3,(H,16,17)
InChIKeyXVWQZOSYBNTMDF-UHFFFAOYSA-N
XLogP2.88
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine (CID 136756991) is 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\CCc2ccccn2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine?
The InChIKey is XVWQZOSYBNTMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-14(2)8-11-18-13(17-14)16-10-7-12-6-4-5-9-15-12/h4-6,9H,3,7-8,10-11H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine?
4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine has a molecular weight of 263.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136756991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).