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

C10H14N2O2S — CID 91156165

IUPAC3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2nccc2C2CC2)C1
InChIInChI=1S/C10H14N2O2S/c13-15(14)6-4-9(7-15)12-10(3-5-11-12)8-1-2-8/h3,5,8-9H,1-2,4,6-7H2
InChIKeyUIVGBCJXYLDVHM-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.12
Rot. Bonds2

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

3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide (PubChem CID 91156165) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide
PubChem CID91156165
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2nccc2C2CC2)C1
InChIInChI=1S/C10H14N2O2S/c13-15(14)6-4-9(7-15)12-10(3-5-11-12)8-1-2-8/h3,5,8-9H,1-2,4,6-7H2
InChIKeyUIVGBCJXYLDVHM-UHFFFAOYSA-N
XLogP1.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide (CID 91156165) is 3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(n2nccc2C2CC2)C1.
What is the InChIKey of 3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is UIVGBCJXYLDVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-15(14)6-4-9(7-15)12-10(3-5-11-12)8-1-2-8/h3,5,8-9H,1-2,4,6-7H2.
What are the key properties of 3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide?
3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropylpyrazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 91156165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).