3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide

C11H18N2O2S — CID 122219454

IUPAC3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide
SMILESCC(C)c1cnn(C2(C)CCS(=O)(=O)C2)c1
InChIInChI=1S/C11H18N2O2S/c1-9(2)10-6-12-13(7-10)11(3)4-5-16(14,15)8-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRTWOQIQHWCVGSI-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.54
Rot. Bonds2

About 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide

3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide (PubChem CID 122219454) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide
PubChem CID122219454
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide
SMILESCC(C)c1cnn(C2(C)CCS(=O)(=O)C2)c1
InChIInChI=1S/C11H18N2O2S/c1-9(2)10-6-12-13(7-10)11(3)4-5-16(14,15)8-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRTWOQIQHWCVGSI-UHFFFAOYSA-N
XLogP1.54
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide (CID 122219454) is 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide is CC(C)c1cnn(C2(C)CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is RTWOQIQHWCVGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2)10-6-12-13(7-10)11(3)4-5-16(14,15)8-11/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide?
3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 242.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-propan-2-ylpyrazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 122219454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).