2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide

C7H10N2O3S — CID 117233436

IUPAC2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1Oc1cn[nH]c1
InChIInChI=1S/C7H10N2O3S/c10-13(11)3-1-2-7(13)12-6-4-8-9-5-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyXOFIHKWWXJGHCS-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.32
Rot. Bonds2

About 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide

2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide (PubChem CID 117233436) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide
PubChem CID117233436
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1Oc1cn[nH]c1
InChIInChI=1S/C7H10N2O3S/c10-13(11)3-1-2-7(13)12-6-4-8-9-5-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyXOFIHKWWXJGHCS-UHFFFAOYSA-N
XLogP0.32
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thiolan-3-yloxy)-1H-pyrazole
CID 117233398
3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide
CID 117233400
4-(thian-4-yloxy)-1H-pyrazole
CID 117233404
4-(1H-pyrazol-4-yloxy)thiane 1,1-dioxide
CID 117233406
4-(thiolan-3-ylmethoxy)-1H-pyrazole
CID 117233411
3-(1H-pyrazol-4-yloxymethyl)thiolane 1,1-dioxide
CID 117233413
4-(thian-4-ylmethoxy)-1H-pyrazole
CID 117233419
4-(1H-pyrazol-4-yloxymethyl)thiane 1,1-dioxide
CID 117233421
4-(thian-3-yloxy)-1H-pyrazole
CID 117233426
3-(1H-pyrazol-4-yloxy)thiane 1,1-dioxide
CID 117233428
4-(thiolan-2-yloxy)-1H-pyrazole
CID 117233434
4-(thian-2-yloxy)-1H-pyrazole
CID 117233444

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide?
The IUPAC name of 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide (CID 117233436) is 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide?
The canonical SMILES for 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide is O=S1(=O)CCCC1Oc1cn[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide?
The InChIKey is XOFIHKWWXJGHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c10-13(11)3-1-2-7(13)12-6-4-8-9-5-6/h4-5,7H,1-3H2,(H,8,9).
What are the key properties of 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide?
2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide has a molecular weight of 202.23 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide is sourced from PubChem (CID 117233436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).