4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine

C15H22N2S — CID 136948902

IUPAC4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
SMILESCC(C/N=C1/NC(C)C(C)CS1)c1ccccc1
InChIInChI=1S/C15H22N2S/c1-11(14-7-5-4-6-8-14)9-16-15-17-13(3)12(2)10-18-15/h4-8,11-13H,9-10H2,1-3H3,(H,16,17)
InChIKeyRBZRIRFCMMYTPV-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.51
Rot. Bonds3

About 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine

4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine (PubChem CID 136948902) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
PubChem CID136948902
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
SMILESCC(C/N=C1/NC(C)C(C)CS1)c1ccccc1
InChIInChI=1S/C15H22N2S/c1-11(14-7-5-4-6-8-14)9-16-15-17-13(3)12(2)10-18-15/h4-8,11-13H,9-10H2,1-3H3,(H,16,17)
InChIKeyRBZRIRFCMMYTPV-UHFFFAOYSA-N
XLogP3.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine (CID 136948902) is 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine is CC(C/N=C1/NC(C)C(C)CS1)c1ccccc1.
What is the InChIKey of 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine?
The InChIKey is RBZRIRFCMMYTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-11(14-7-5-4-6-8-14)9-16-15-17-13(3)12(2)10-18-15/h4-8,11-13H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine?
4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine has a molecular weight of 262.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136948902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).