1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine

C15H21N3O2S2 — CID 71781198

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)s1
InChIInChI=1S/C15H21N3O2S2/c1-2-14-4-5-15(21-14)22(19,20)18-10-6-13(7-11-18)12-17-9-3-8-16-17/h3-5,8-9,13H,2,6-7,10-12H2,1H3
InChIKeyOWEOTBOHCNNICK-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.61
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine

1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 71781198) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID71781198
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)s1
InChIInChI=1S/C15H21N3O2S2/c1-2-14-4-5-15(21-14)22(19,20)18-10-6-13(7-11-18)12-17-9-3-8-16-17/h3-5,8-9,13H,2,6-7,10-12H2,1H3
InChIKeyOWEOTBOHCNNICK-UHFFFAOYSA-N
XLogP2.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine (CID 71781198) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine is CCc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is OWEOTBOHCNNICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-2-14-4-5-15(21-14)22(19,20)18-10-6-13(7-11-18)12-17-9-3-8-16-17/h3-5,8-9,13H,2,6-7,10-12H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 339.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 71781198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).