1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine

C15H22N4O2S2 — CID 71783865

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1cc(C)n(CCN2CCN(S(=O)(=O)c3cccs3)CC2)n1
InChIInChI=1S/C15H22N4O2S2/c1-13-12-14(2)19(16-13)10-7-17-5-8-18(9-6-17)23(20,21)15-4-3-11-22-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyJDYOBWVWBPFBTF-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.57
Rot. Bonds5

About 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine

1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 71783865) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID71783865
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1cc(C)n(CCN2CCN(S(=O)(=O)c3cccs3)CC2)n1
InChIInChI=1S/C15H22N4O2S2/c1-13-12-14(2)19(16-13)10-7-17-5-8-18(9-6-17)23(20,21)15-4-3-11-22-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyJDYOBWVWBPFBTF-UHFFFAOYSA-N
XLogP1.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine (CID 71783865) is 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine is Cc1cc(C)n(CCN2CCN(S(=O)(=O)c3cccs3)CC2)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is JDYOBWVWBPFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-13-12-14(2)19(16-13)10-7-17-5-8-18(9-6-17)23(20,21)15-4-3-11-22-15/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 354.50 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 71783865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).