3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide

C7H10N2O3S — CID 117233400

IUPAC3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cn[nH]c2)C1
InChIInChI=1S/C7H10N2O3S/c10-13(11)2-1-6(5-13)12-7-3-8-9-4-7/h3-4,6H,1-2,5H2,(H,8,9)
InChIKeyLDTGOMZOHUAGNZ-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.02
Rot. Bonds2

About 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide

3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide (PubChem CID 117233400) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide
PubChem CID117233400
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cn[nH]c2)C1
InChIInChI=1S/C7H10N2O3S/c10-13(11)2-1-6(5-13)12-7-3-8-9-4-7/h3-4,6H,1-2,5H2,(H,8,9)
InChIKeyLDTGOMZOHUAGNZ-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 117233398
CID 117233398
CID 117233404
CID 117233404
CID 117233406
CID 117233406
CID 117233411
CID 117233411
CID 117233413
CID 117233413
CID 117233421
CID 117233421
CID 117233426
CID 117233426
CID 117233428
CID 117233428
CID 117233434
CID 117233434
CID 117233436
CID 117233436
CID 117233444
CID 117233444
CID 117233446
CID 117233446

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide?
The IUPAC name of 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide (CID 117233400) is 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide?
The canonical SMILES for 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide is O=S1(=O)CCC(Oc2cn[nH]c2)C1.
What is the InChIKey of 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide?
The InChIKey is LDTGOMZOHUAGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c10-13(11)2-1-6(5-13)12-7-3-8-9-4-7/h3-4,6H,1-2,5H2,(H,8,9).
What are the key properties of 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide?
3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide has a molecular weight of 202.23 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yloxy)thiolane 1,1-dioxide is sourced from PubChem (CID 117233400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).