3-piperazin-1-ylthiophene-2-sulfonyl chloride

C8H11ClN2O2S2 — CID 140807937

IUPAC3-piperazin-1-ylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1sccc1N1CCNCC1
InChIInChI=1S/C8H11ClN2O2S2/c9-15(12,13)8-7(1-6-14-8)11-4-2-10-3-5-11/h1,6,10H,2-5H2
InChIKeyWSVDQGLESSTLFF-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.09
Rot. Bonds2

About 3-piperazin-1-ylthiophene-2-sulfonyl chloride

3-piperazin-1-ylthiophene-2-sulfonyl chloride (PubChem CID 140807937) has the molecular formula C8H11ClN2O2S2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-piperazin-1-ylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-piperazin-1-ylthiophene-2-sulfonyl chloride
PubChem CID140807937
Molecular FormulaC8H11ClN2O2S2
Molecular Weight266.77 g/mol
Exact Mass266.00
IUPAC Name3-piperazin-1-ylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1sccc1N1CCNCC1
InChIInChI=1S/C8H11ClN2O2S2/c9-15(12,13)8-7(1-6-14-8)11-4-2-10-3-5-11/h1,6,10H,2-5H2
InChIKeyWSVDQGLESSTLFF-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylthiophene-2-sulfonyl chloride?
The IUPAC name of 3-piperazin-1-ylthiophene-2-sulfonyl chloride (CID 140807937) is 3-piperazin-1-ylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-piperazin-1-ylthiophene-2-sulfonyl chloride?
The canonical SMILES for 3-piperazin-1-ylthiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1sccc1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylthiophene-2-sulfonyl chloride?
The InChIKey is WSVDQGLESSTLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S2/c9-15(12,13)8-7(1-6-14-8)11-4-2-10-3-5-11/h1,6,10H,2-5H2.
What are the key properties of 3-piperazin-1-ylthiophene-2-sulfonyl chloride?
3-piperazin-1-ylthiophene-2-sulfonyl chloride has a molecular weight of 266.77 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 140807937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).