N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine

C15H22N2S — CID 136993316

IUPACN-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCc2ccccc2)N1
InChIInChI=1S/C15H22N2S/c1-12(2)14-9-11-18-15(17-14)16-10-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,16,17)
InChIKeyKKVQYGCIBIGSBM-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.34
Rot. Bonds4

About N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine

N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136993316) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136993316
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCc2ccccc2)N1
InChIInChI=1S/C15H22N2S/c1-12(2)14-9-11-18-15(17-14)16-10-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,16,17)
InChIKeyKKVQYGCIBIGSBM-UHFFFAOYSA-N
XLogP3.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-phenylethyl)-4-propan-2-yl-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

4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136848100
N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848243
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136848036
N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993355
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848107
4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
CID 136848013
4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
CID 136848122
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
N-(2-phenylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746896
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871727

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136993316) is N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\CCc2ccccc2)N1.
What is the InChIKey of N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is KKVQYGCIBIGSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-12(2)14-9-11-18-15(17-14)16-10-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,16,17).
What are the key properties of N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 262.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).