(3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine

C17H23N3O2S — CID 96514152

IUPAC(3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc([C@H]2CCCN(CCS(=O)(=O)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C17H23N3O2S/c1-14-12-17(19-18-14)15-6-5-9-20(13-15)10-11-23(21,22)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyUHUYUGFNVSZGNJ-HNNXBMFYSA-N
MW333.46 g/mol
LogP2.37
Rot. Bonds5

About (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine

(3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine (PubChem CID 96514152) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
PubChem CID96514152
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc([C@H]2CCCN(CCS(=O)(=O)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C17H23N3O2S/c1-14-12-17(19-18-14)15-6-5-9-20(13-15)10-11-23(21,22)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyUHUYUGFNVSZGNJ-HNNXBMFYSA-N
XLogP2.37
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-[(S)-phenylsulfinyl]ethyl]piperidine
CID 98785277
1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 71927062
1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 71926955
(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 97004575
1-[2-(benzenesulfonyl)ethyl]pyrrolidine;hydrochloride
CID 117068077
1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96514400
1-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 71926835
[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 97069118
(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol
CID 97069134
2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 71926991
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514522

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The IUPAC name of (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine (CID 96514152) is (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine.
What is the SMILES notation for (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The canonical SMILES for (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine is Cc1cc([C@H]2CCCN(CCS(=O)(=O)c3ccccc3)C2)n[nH]1.
What is the InChIKey of (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The InChIKey is UHUYUGFNVSZGNJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-14-12-17(19-18-14)15-6-5-9-20(13-15)10-11-23(21,22)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
(3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine has a molecular weight of 333.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine is sourced from PubChem (CID 96514152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).