PIN

PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID)

Created:	1999-07-08
Last modified:	2020-06-05

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21 entries where PIN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	0

2D diagram of PIN

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Chemical Component Summary
Name	PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID)
Synonyms	PIPES; 1,4-PIPERAZINEDIETHANESULFONIC ACID
Systematic Name (OpenEye OEToolkits)	2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid
Formula	C₈ H₁₈ N₂ O₆ S₂
Molecular Weight	302.368
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1
SMILES	CACTVS	3.341	O[S](=O)(=O)CCN1CCN(CC1)CC[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
Canonical SMILES	CACTVS	3.341	O[S](=O)(=O)CCN1CCN(CC1)CC[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)
InChIKey	InChI	1.03	IHPYMWDTONKSCO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6992709, 79723
ChEBI	CHEBI:44933

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.