1-thiophen-2-ylsulfonylpiperazine;hydrochloride

C8H13ClN2O2S2 — CID 46743453

IUPAC1-thiophen-2-ylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccs1)N1CCNCC1
InChIInChI=1S/C8H12N2O2S2.ClH/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10;/h1-2,7,9H,3-6H2;1H
InChIKeyVBWBQYPSKKXHDO-UHFFFAOYSA-N
MW268.79 g/mol
LogP0.76
Rot. Bonds2

About 1-thiophen-2-ylsulfonylpiperazine;hydrochloride

1-thiophen-2-ylsulfonylpiperazine;hydrochloride (PubChem CID 46743453) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonylpiperazine;hydrochloride
PubChem CID46743453
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC Name1-thiophen-2-ylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccs1)N1CCNCC1
InChIInChI=1S/C8H12N2O2S2.ClH/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10;/h1-2,7,9H,3-6H2;1H
InChIKeyVBWBQYPSKKXHDO-UHFFFAOYSA-N
XLogP0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The IUPAC name of 1-thiophen-2-ylsulfonylpiperazine;hydrochloride (CID 46743453) is 1-thiophen-2-ylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-thiophen-2-ylsulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1cccs1)N1CCNCC1.
What is the InChIKey of 1-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The InChIKey is VBWBQYPSKKXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2.ClH/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10;/h1-2,7,9H,3-6H2;1H.
What are the key properties of 1-thiophen-2-ylsulfonylpiperazine;hydrochloride?
1-thiophen-2-ylsulfonylpiperazine;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 46743453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).