4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide

C10H16N2O2S — CID 84736018

IUPAC4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide
SMILESCCc1cnn(C2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C10H16N2O2S/c1-2-9-7-11-12(8-9)10-3-5-15(13,14)6-4-10/h7-8,10H,2-6H2,1H3
InChIKeyTYODXWSSDFFJKX-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.20
Rot. Bonds2

About 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide

4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide (PubChem CID 84736018) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide
PubChem CID84736018
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide
SMILESCCc1cnn(C2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C10H16N2O2S/c1-2-9-7-11-12(8-9)10-3-5-15(13,14)6-4-10/h7-8,10H,2-6H2,1H3
InChIKeyTYODXWSSDFFJKX-UHFFFAOYSA-N
XLogP1.20
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide (CID 84736018) is 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide is CCc1cnn(C2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide?
The InChIKey is TYODXWSSDFFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-9-7-11-12(8-9)10-3-5-15(13,14)6-4-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide?
4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide has a molecular weight of 228.32 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpyrazol-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 84736018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).