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

C14H19ClN2S — CID 136984898

IUPACN-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC1(C)CCS/C(=N\CCc2ccc(Cl)cc2)N1
InChIInChI=1S/C14H19ClN2S/c1-14(2)8-10-18-13(17-14)16-9-7-11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyWUJNEGIKNYKHCX-UHFFFAOYSA-N
MW282.84 g/mol
LogP3.74
Rot. Bonds3

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

N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136984898) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136984898
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC1(C)CCS/C(=N\CCc2ccc(Cl)cc2)N1
InChIInChI=1S/C14H19ClN2S/c1-14(2)8-10-18-13(17-14)16-9-7-11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyWUJNEGIKNYKHCX-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
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-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984810
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135934567
4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136757035
4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine
CID 137000128
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135934558
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine
CID 136896889
N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757213
4,4-dimethyl-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136985103
4,4-dimethyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136984964
4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine
CID 136985048
4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine
CID 136756991

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136984898) is N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine is CC1(C)CCS/C(=N\CCc2ccc(Cl)cc2)N1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is WUJNEGIKNYKHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2S/c1-14(2)8-10-18-13(17-14)16-9-7-11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 282.84 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136984898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).