2,3-dimethyl-1,2,4-thiadiazinane

C5H12N2S — CID 123396852

IUPAC2,3-dimethyl-1,2,4-thiadiazinane
SMILESCC1NCCSN1C
InChIInChI=1S/C5H12N2S/c1-5-6-3-4-8-7(5)2/h5-6H,3-4H2,1-2H3
InChIKeyKPNZTKJSYULEIQ-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.52
Rot. Bonds

About 2,3-dimethyl-1,2,4-thiadiazinane

2,3-dimethyl-1,2,4-thiadiazinane (PubChem CID 123396852) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 2,3-dimethyl-1,2,4-thiadiazinane.

Molecular Properties

Compound Name2,3-dimethyl-1,2,4-thiadiazinane
PubChem CID123396852
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name2,3-dimethyl-1,2,4-thiadiazinane
SMILESCC1NCCSN1C
InChIInChI=1S/C5H12N2S/c1-5-6-3-4-8-7(5)2/h5-6H,3-4H2,1-2H3
InChIKeyKPNZTKJSYULEIQ-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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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1,2-dimethylimidazolidine;formamide
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2-butylthiadiazolidine
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(5S)-1,5-dimethyl-1,4-diazepane
CID 93492381
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3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,2,4-thiadiazinane?
The IUPAC name of 2,3-dimethyl-1,2,4-thiadiazinane (CID 123396852) is 2,3-dimethyl-1,2,4-thiadiazinane.
What is the SMILES notation for 2,3-dimethyl-1,2,4-thiadiazinane?
The canonical SMILES for 2,3-dimethyl-1,2,4-thiadiazinane is CC1NCCSN1C.
What is the InChIKey of 2,3-dimethyl-1,2,4-thiadiazinane?
The InChIKey is KPNZTKJSYULEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-5-6-3-4-8-7(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,2,4-thiadiazinane?
2,3-dimethyl-1,2,4-thiadiazinane has a molecular weight of 132.23 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,2,4-thiadiazinane is sourced from PubChem (CID 123396852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).