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

C15H21ClN2S — CID 136757120

IUPACN-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C(C)c2cccc(Cl)c2)N1
InChIInChI=1S/C15H21ClN2S/c1-4-15(3)8-9-19-14(18-15)17-11(2)12-6-5-7-13(16)10-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyLCVVCSHMKQTIBV-UHFFFAOYSA-N
MW296.87 g/mol
LogP4.65
Rot. Bonds3

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

N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136757120) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
PubChem CID136757120
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C(C)c2cccc(Cl)c2)N1
InChIInChI=1S/C15H21ClN2S/c1-4-15(3)8-9-19-14(18-15)17-11(2)12-6-5-7-13(16)10-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyLCVVCSHMKQTIBV-UHFFFAOYSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(3-chlorophenyl)ethyl]-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

Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136756993
N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757213
4-ethyl-4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazinan-2-imine
CID 136756990
4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine
CID 136757233
4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136757035
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-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
CID 136757451
N-[1-(3-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 149419062
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine
CID 136756991
N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819571

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (CID 136757120) is N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\C(C)c2cccc(Cl)c2)N1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is LCVVCSHMKQTIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2S/c1-4-15(3)8-9-19-14(18-15)17-11(2)12-6-5-7-13(16)10-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 296.87 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).