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

C11H16N2O2S — CID 167138969

IUPAC4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cc(C3CC3)cn2)CC1
InChIInChI=1S/C11H16N2O2S/c14-16(15)5-3-11(4-6-16)13-8-10(7-12-13)9-1-2-9/h7-9,11H,1-6H2
InChIKeyKWIXGHXSZDATJR-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.51
Rot. Bonds2

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

4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide (PubChem CID 167138969) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide
PubChem CID167138969
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cc(C3CC3)cn2)CC1
InChIInChI=1S/C11H16N2O2S/c14-16(15)5-3-11(4-6-16)13-8-10(7-12-13)9-1-2-9/h7-9,11H,1-6H2
InChIKeyKWIXGHXSZDATJR-UHFFFAOYSA-N
XLogP1.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide (CID 167138969) is 4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide is O=S1(=O)CCC(n2cc(C3CC3)cn2)CC1.
What is the InChIKey of 4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide?
The InChIKey is KWIXGHXSZDATJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-16(15)5-3-11(4-6-16)13-8-10(7-12-13)9-1-2-9/h7-9,11H,1-6H2.
What are the key properties of 4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide?
4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide has a molecular weight of 240.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpyrazol-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 167138969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).