N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine

C14H19ClN2S — CID 136757022

IUPACN-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\Cc2ccccc2Cl)N1
InChIInChI=1S/C14H19ClN2S/c1-3-14(2)8-9-18-13(17-14)16-10-11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyHVTXXIZLAHJWOZ-UHFFFAOYSA-N
MW282.84 g/mol
LogP4.09
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine

N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136757022) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
PubChem CID136757022
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\Cc2ccccc2Cl)N1
InChIInChI=1S/C14H19ClN2S/c1-3-14(2)8-9-18-13(17-14)16-10-11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyHVTXXIZLAHJWOZ-UHFFFAOYSA-N
XLogP4.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (CID 136757022) is N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\Cc2ccccc2Cl)N1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is HVTXXIZLAHJWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2S/c1-3-14(2)8-9-18-13(17-14)16-10-11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 282.84 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).