2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol

C13H23N3O3S — CID 60957876

IUPAC2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C13H23N3O3S/c1-10-13(11(2)15(3)14-10)20(18,19)16-8-5-4-6-12(16)7-9-17/h12,17H,4-9H2,1-3H3
InChIKeyQMRQKYVWUHXUHS-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.96
Rot. Bonds4

About 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol

2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 60957876) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
PubChem CID60957876
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C13H23N3O3S/c1-10-13(11(2)15(3)14-10)20(18,19)16-8-5-4-6-12(16)7-9-17/h12,17H,4-9H2,1-3H3
InChIKeyQMRQKYVWUHXUHS-UHFFFAOYSA-N
XLogP0.96
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol (CID 60957876) is 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is QMRQKYVWUHXUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10-13(11(2)15(3)14-10)20(18,19)16-8-5-4-6-12(16)7-9-17/h12,17H,4-9H2,1-3H3.
What are the key properties of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 301.41 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 60957876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).