1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine

C6H14N2O2S — CID 142566134

IUPAC1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine
SMILESCC1=NN(C)CC(C)S1(O)O
InChIInChI=1S/C6H14N2O2S/c1-5-4-8(3)7-6(2)11(5,9)10/h5,9-10H,4H2,1-3H3
InChIKeyQBSDAQOXNJAQDH-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.40
Rot. Bonds

About 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine

1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine (PubChem CID 142566134) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine.

Molecular Properties

Compound Name1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine
PubChem CID142566134
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine
SMILESCC1=NN(C)CC(C)S1(O)O
InChIInChI=1S/C6H14N2O2S/c1-5-4-8(3)7-6(2)11(5,9)10/h5,9-10H,4H2,1-3H3
InChIKeyQBSDAQOXNJAQDH-UHFFFAOYSA-N
XLogP1.40
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine 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

(4S)-2,4,5-trimethyl-3,4-dihydropyrazole
CID 144949916
2,4,6-trimethyl-4,5-dihydro-3H-pyridazine
CID 154358308
4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine
CID 55289239
1-[(2,5-dimethyl-3,4-dihydropyrazol-4-yl)methyl]piperidine
CID 143811923
3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
CID 178147119
1,3,5,7,9-pentamethyl-1,3,7-triazecane
CID 154027656
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
2,4,5,6-tetramethyl-5H-triazine
CID 10396916
(3R)-1,3-dimethylpyrrolidine
CID 58412242
1-[(4S)-4,5-dimethyl-3,4-dihydropyrazol-2-yl]ethanone
CID 163133902
1,1,2,4-tetramethylpiperazin-1-ium
CID 159105813
1,6-dimethylazepan-3-ol
CID 118230247

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine?
The IUPAC name of 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine (CID 142566134) is 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine.
What is the SMILES notation for 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine?
The canonical SMILES for 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine is CC1=NN(C)CC(C)S1(O)O.
What is the InChIKey of 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine?
The InChIKey is QBSDAQOXNJAQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-5-4-8(3)7-6(2)11(5,9)10/h5,9-10H,4H2,1-3H3.
What are the key properties of 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine?
1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine has a molecular weight of 178.26 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxy-2,4,6-trimethyl-5,6-dihydro-1,3,4-thiadiazine is sourced from PubChem (CID 142566134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).