3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide

C9H14N2O2S — CID 2867622

IUPAC3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide
SMILESCc1cc(C)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C9H14N2O2S/c1-7-5-8(2)11(10-7)9-3-4-14(12,13)6-9/h5,9H,3-4,6H2,1-2H3
InChIKeyYHQGSZJAQQJYOZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.86
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide

3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide (PubChem CID 2867622) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide
PubChem CID2867622
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide
SMILESCc1cc(C)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C9H14N2O2S/c1-7-5-8(2)11(10-7)9-3-4-14(12,13)6-9/h5,9H,3-4,6H2,1-2H3
InChIKeyYHQGSZJAQQJYOZ-UHFFFAOYSA-N
XLogP0.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide (CID 2867622) is 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide is Cc1cc(C)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is YHQGSZJAQQJYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-5-8(2)11(10-7)9-3-4-14(12,13)6-9/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide?
3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 214.29 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 2867622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).