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

C18H25N3O2S — CID 71927065

IUPAC1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc(C2CCCN(CCCS(=O)(=O)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C18H25N3O2S/c1-15-13-18(20-19-15)16-7-5-10-21(14-16)11-6-12-24(22,23)17-8-3-2-4-9-17/h2-4,8-9,13,16H,5-7,10-12,14H2,1H3,(H,19,20)
InChIKeyJSPBUIJHTZPKED-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.76
Rot. Bonds6

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

1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine (PubChem CID 71927065) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
PubChem CID71927065
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc(C2CCCN(CCCS(=O)(=O)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C18H25N3O2S/c1-15-13-18(20-19-15)16-7-5-10-21(14-16)11-6-12-24(22,23)17-8-3-2-4-9-17/h2-4,8-9,13,16H,5-7,10-12,14H2,1H3,(H,19,20)
InChIKeyJSPBUIJHTZPKED-UHFFFAOYSA-N
XLogP2.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The IUPAC name of 1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine (CID 71927065) is 1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine.
What is the SMILES notation for 1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The canonical SMILES for 1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine is Cc1cc(C2CCCN(CCCS(=O)(=O)c3ccccc3)C2)n[nH]1.
What is the InChIKey of 1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The InChIKey is JSPBUIJHTZPKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-15-13-18(20-19-15)16-7-5-10-21(14-16)11-6-12-24(22,23)17-8-3-2-4-9-17/h2-4,8-9,13,16H,5-7,10-12,14H2,1H3,(H,19,20).
What are the key properties of 1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine has a molecular weight of 347.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)propyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine is sourced from PubChem (CID 71927065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).