N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine

C13H18N2O2S — CID 1432088

IUPACN-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine
SMILESCOc1ccc(/N=C2\SCCCN2C)c(OC)c1
InChIInChI=1S/C13H18N2O2S/c1-15-7-4-8-18-13(15)14-11-6-5-10(16-2)9-12(11)17-3/h5-6,9H,4,7-8H2,1-3H3/b14-13-
InChIKeyNLUFLBKUUIPRHN-YPKPFQOOSA-N
MW266.37 g/mol
LogP2.76
Rot. Bonds3

About N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine

N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine (PubChem CID 1432088) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine
PubChem CID1432088
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine
SMILESCOc1ccc(/N=C2\SCCCN2C)c(OC)c1
InChIInChI=1S/C13H18N2O2S/c1-15-7-4-8-18-13(15)14-11-6-5-10(16-2)9-12(11)17-3/h5-6,9H,4,7-8H2,1-3H3/b14-13-
InChIKeyNLUFLBKUUIPRHN-YPKPFQOOSA-N
XLogP2.76
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine (CID 1432088) is N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine is COc1ccc(/N=C2\SCCCN2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine?
The InChIKey is NLUFLBKUUIPRHN-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-15-7-4-8-18-13(15)14-11-6-5-10(16-2)9-12(11)17-3/h5-6,9H,4,7-8H2,1-3H3/b14-13-.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine?
N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine has a molecular weight of 266.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 1432088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).