2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine

C11H19N3O2S — CID 165480123

IUPAC2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine
SMILESCC1CC(n2cc(S(C)(=O)=O)cn2)CC(C)N1
InChIInChI=1S/C11H19N3O2S/c1-8-4-10(5-9(2)13-8)14-7-11(6-12-14)17(3,15)16/h6-10,13H,4-5H2,1-3H3
InChIKeyQLENYAOINIBCHA-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.99
Rot. Bonds2

About 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine

2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine (PubChem CID 165480123) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine
PubChem CID165480123
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine
SMILESCC1CC(n2cc(S(C)(=O)=O)cn2)CC(C)N1
InChIInChI=1S/C11H19N3O2S/c1-8-4-10(5-9(2)13-8)14-7-11(6-12-14)17(3,15)16/h6-10,13H,4-5H2,1-3H3
InChIKeyQLENYAOINIBCHA-UHFFFAOYSA-N
XLogP0.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine?
The IUPAC name of 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine (CID 165480123) is 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine.
What is the SMILES notation for 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine?
The canonical SMILES for 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine is CC1CC(n2cc(S(C)(=O)=O)cn2)CC(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine?
The InChIKey is QLENYAOINIBCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-4-10(5-9(2)13-8)14-7-11(6-12-14)17(3,15)16/h6-10,13H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine?
2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine has a molecular weight of 257.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine is sourced from PubChem (CID 165480123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).