2,5-dimethyl-1,2,6-thiadiazinane

C5H12N2S — CID 68732880

IUPAC2,5-dimethyl-1,2,6-thiadiazinane
SMILESCC1CCN(C)SN1
InChIInChI=1S/C5H12N2S/c1-5-3-4-7(2)8-6-5/h5-6H,3-4H2,1-2H3
InChIKeyQBMXHIRSRNLCQE-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.86
Rot. Bonds

About 2,5-dimethyl-1,2,6-thiadiazinane

2,5-dimethyl-1,2,6-thiadiazinane (PubChem CID 68732880) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 2,5-dimethyl-1,2,6-thiadiazinane.

Molecular Properties

Compound Name2,5-dimethyl-1,2,6-thiadiazinane
PubChem CID68732880
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name2,5-dimethyl-1,2,6-thiadiazinane
SMILESCC1CCN(C)SN1
InChIInChI=1S/C5H12N2S/c1-5-3-4-7(2)8-6-5/h5-6H,3-4H2,1-2H3
InChIKeyQBMXHIRSRNLCQE-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-methylthiazepane
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3-methyl-1,5-diazabicyclo[3.2.2]nonane
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5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 82242425
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CID 173111970
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CID 114505869

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,2,6-thiadiazinane?
The IUPAC name of 2,5-dimethyl-1,2,6-thiadiazinane (CID 68732880) is 2,5-dimethyl-1,2,6-thiadiazinane.
What is the SMILES notation for 2,5-dimethyl-1,2,6-thiadiazinane?
The canonical SMILES for 2,5-dimethyl-1,2,6-thiadiazinane is CC1CCN(C)SN1.
What is the InChIKey of 2,5-dimethyl-1,2,6-thiadiazinane?
The InChIKey is QBMXHIRSRNLCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-5-3-4-7(2)8-6-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,2,6-thiadiazinane?
2,5-dimethyl-1,2,6-thiadiazinane has a molecular weight of 132.23 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,2,6-thiadiazinane is sourced from PubChem (CID 68732880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).