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

C15H20Cl2N2S — CID 136756993

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C(C)c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C15H20Cl2N2S/c1-4-15(3)7-8-20-14(19-15)18-10(2)12-6-5-11(16)9-13(12)17/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyQBEFXZHZSXWRBX-UHFFFAOYSA-N
MW331.31 g/mol
LogP5.31
Rot. Bonds3

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

N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136756993) has the molecular formula C15H20Cl2N2S and a molecular weight of 331.31 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
PubChem CID136756993
Molecular FormulaC15H20Cl2N2S
Molecular Weight331.31 g/mol
Exact Mass330.07
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C(C)c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C15H20Cl2N2S/c1-4-15(3)7-8-20-14(19-15)18-10(2)12-6-5-11(16)9-13(12)17/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyQBEFXZHZSXWRBX-UHFFFAOYSA-N
XLogP5.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.31
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757120
N-[1-(2,4-dichlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819437
N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757022
4-ethyl-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazinan-2-imine
CID 136757276
methyl 2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]propanoate
CID 136757113
4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136757035
4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
CID 136757451
N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757088
(2,4-dichlorophenyl)-(1-methylcyclopropyl)methanamine
CID 130517016
4-ethyl-N-hexyl-4-methyl-1,3-thiazinan-2-imine
CID 136757061
N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984898
6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline
CID 84723056

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (CID 136756993) is N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\C(C)c2ccc(Cl)cc2Cl)N1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is QBEFXZHZSXWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2S/c1-4-15(3)7-8-20-14(19-15)18-10(2)12-6-5-11(16)9-13(12)17/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 331.31 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136756993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).