4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine

C11H22N2O2S2 — CID 136755447

IUPAC4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC(C)(C)S(C)(=O)=O)N1
InChIInChI=1S/C11H22N2O2S2/c1-8-6-9(2)16-10(13-8)12-7-11(3,4)17(5,14)15/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyGZRBMJALLRFTKN-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.67
Rot. Bonds3

About 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine

4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine (PubChem CID 136755447) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine
PubChem CID136755447
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC(C)(C)S(C)(=O)=O)N1
InChIInChI=1S/C11H22N2O2S2/c1-8-6-9(2)16-10(13-8)12-7-11(3,4)17(5,14)15/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyGZRBMJALLRFTKN-UHFFFAOYSA-N
XLogP1.67
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-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-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136723649
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136981461
4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine
CID 136755340
N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136964295

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine (CID 136755447) is 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CC(C)(C)S(C)(=O)=O)N1.
What is the InChIKey of 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine?
The InChIKey is GZRBMJALLRFTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-8-6-9(2)16-10(13-8)12-7-11(3,4)17(5,14)15/h8-9H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine has a molecular weight of 278.44 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).