3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide

C8H13N3O2S — CID 129180853

IUPAC3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide
SMILESCc1nnc(C2CCS(=O)(=O)C2)n1C
InChIInChI=1S/C8H13N3O2S/c1-6-9-10-8(11(6)2)7-3-4-14(12,13)5-7/h7H,3-5H2,1-2H3
InChIKeySBYVUBRZIHLCNH-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.03
Rot. Bonds1

About 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide

3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide (PubChem CID 129180853) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide
PubChem CID129180853
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide
SMILESCc1nnc(C2CCS(=O)(=O)C2)n1C
InChIInChI=1S/C8H13N3O2S/c1-6-9-10-8(11(6)2)7-3-4-14(12,13)5-7/h7H,3-5H2,1-2H3
InChIKeySBYVUBRZIHLCNH-UHFFFAOYSA-N
XLogP0.03
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide (CID 129180853) is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide is Cc1nnc(C2CCS(=O)(=O)C2)n1C.
What is the InChIKey of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide?
The InChIKey is SBYVUBRZIHLCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-9-10-8(11(6)2)7-3-4-14(12,13)5-7/h7H,3-5H2,1-2H3.
What are the key properties of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide?
3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide has a molecular weight of 215.28 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 129180853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).