(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine

C17H23N3O3S — CID 164637277

IUPAC(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ccnn1C
InChIInChI=1S/C17H23N3O3S/c1-13-7-8-16(23-3)17(12-13)24(21,22)20-11-5-4-6-15(20)14-9-10-18-19(14)2/h7-10,12,15H,4-6,11H2,1-3H3/t15-/m0/s1
InChIKeyUCFXUOHOFAAVOL-HNNXBMFYSA-N
MW349.46 g/mol
LogP2.65
Rot. Bonds4

About (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine

(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine (PubChem CID 164637277) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
PubChem CID164637277
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ccnn1C
InChIInChI=1S/C17H23N3O3S/c1-13-7-8-16(23-3)17(12-13)24(21,22)20-11-5-4-6-15(20)14-9-10-18-19(14)2/h7-10,12,15H,4-6,11H2,1-3H3/t15-/m0/s1
InChIKeyUCFXUOHOFAAVOL-HNNXBMFYSA-N
XLogP2.65
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 110750417
(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8799587
3-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 126809488
5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole
CID 136561171
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836293
(2S)-1-(3-bromothiophen-2-yl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
CID 124743984
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809417
(1S)-2-(2-methoxy-5-methylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 8796372
4-cyclopentyl-5-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121117404

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine?
The IUPAC name of (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine (CID 164637277) is (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine?
The canonical SMILES for (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine is COc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ccnn1C.
What is the InChIKey of (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine?
The InChIKey is UCFXUOHOFAAVOL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-7-8-16(23-3)17(12-13)24(21,22)20-11-5-4-6-15(20)14-9-10-18-19(14)2/h7-10,12,15H,4-6,11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine?
(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine has a molecular weight of 349.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 164637277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).