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

C14H19ClN2S — CID 136757213

IUPACN-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\Cc2cccc(Cl)c2)N1
InChIInChI=1S/C14H19ClN2S/c1-3-14(2)7-8-18-13(17-14)16-10-11-5-4-6-12(15)9-11/h4-6,9H,3,7-8,10H2,1-2H3,(H,16,17)
InChIKeyBNXSXBFBLFNVRF-UHFFFAOYSA-N
MW282.84 g/mol
LogP4.09
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136757213) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
PubChem CID136757213
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC NameN-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\Cc2cccc(Cl)c2)N1
InChIInChI=1S/C14H19ClN2S/c1-3-14(2)7-8-18-13(17-14)16-10-11-5-4-6-12(15)9-11/h4-6,9H,3,7-8,10H2,1-2H3,(H,16,17)
InChIKeyBNXSXBFBLFNVRF-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'}

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757120
N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757022
4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136757035
4-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136757180
4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136987620
N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136756993
4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine
CID 136757233
4-ethyl-N-hexyl-4-methyl-1,3-thiazinan-2-imine
CID 136757061
N-[3-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]propyl]-N-methylaniline
CID 136757017
4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine
CID 136756991
4-ethyl-4-methyl-N-pentan-3-yl-1,3-thiazinan-2-imine
CID 136757003
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757296

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (CID 136757213) is N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\Cc2cccc(Cl)c2)N1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is BNXSXBFBLFNVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2S/c1-3-14(2)7-8-18-13(17-14)16-10-11-5-4-6-12(15)9-11/h4-6,9H,3,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
N-[(3-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-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).