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

C17H23N3O2S — CID 71927020

IUPAC1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc(C2CCCN(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)
InChIKeyUHUYUGFNVSZGNJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.37
Rot. Bonds5

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

1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine (PubChem CID 71927020) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
PubChem CID71927020
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc(C2CCCN(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)
InChIKeyUHUYUGFNVSZGNJ-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-Methylpiperidin-4-yl)-5-(phenylsulfonyl)-1h-indazole
CID 24763350
3-(1-methylpiperidin-4-yl)-5-(m-tolylsulfonyl)-1H-indazole
CID 24763354
1-(4-methylbenzyl)-4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidine
CID 1488673
1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
CID 10497179
1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56714764
5-[2-(Benzenesulfinyl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 56787411
1-cyclopropylsulfonyl-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 71836802
3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine
CID 71927051
1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 71927065
N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 72121237
4-methyl-1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-thienyl]sulfonyl}piperidine
CID 20947435
1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 53165426

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine (CID 71927020) is 1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine is Cc1cc(C2CCCN(CCS(=O)(=O)c3ccccc3)C2)n[nH]1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The InChIKey is UHUYUGFNVSZGNJ-UHFFFAOYSA-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).
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
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 1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine is sourced from PubChem (CID 71927020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).