(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine

C11H19N3O2S — CID 95843085

IUPAC(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCCS(=O)(=O)N1CCCC[C@@H]1c1[nH]ncc1C
InChIInChI=1S/C11H19N3O2S/c1-3-17(15,16)14-7-5-4-6-10(14)11-9(2)8-12-13-11/h8,10H,3-7H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeySMXGKRWDXFNJOI-SNVBAGLBSA-N
MW257.36 g/mol
LogP1.59
Rot. Bonds3

About (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine

(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 95843085) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID95843085
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCCS(=O)(=O)N1CCCC[C@@H]1c1[nH]ncc1C
InChIInChI=1S/C11H19N3O2S/c1-3-17(15,16)14-7-5-4-6-10(14)11-9(2)8-12-13-11/h8,10H,3-7H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeySMXGKRWDXFNJOI-SNVBAGLBSA-N
XLogP1.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole
CID 110257003
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110271079
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645
1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
CID 95824678
5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole
CID 110250144
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687
2-ethoxy-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 73439591
2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine
CID 110106240
5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95817091
1-ethylsulfonyl-2-(3-methylthiophen-2-yl)azepane
CID 53013040
1-[2-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124974089
5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125011600

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 95843085) is (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine is CCS(=O)(=O)N1CCCC[C@@H]1c1[nH]ncc1C.
What is the InChIKey of (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is SMXGKRWDXFNJOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-17(15,16)14-7-5-4-6-10(14)11-9(2)8-12-13-11/h8,10H,3-7H2,1-2H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine?
(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 257.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 95843085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).