7-piperazin-1-ylheptane-1-sulfonic acid

C11H24N2O3S — CID 172879201

IUPAC7-piperazin-1-ylheptane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCN1CCNCC1
InChIInChI=1S/C11H24N2O3S/c14-17(15,16)11-5-3-1-2-4-8-13-9-6-12-7-10-13/h12H,1-11H2,(H,14,15,16)
InChIKeyQWQJNCORZQCYJW-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.73
Rot. Bonds8

About 7-piperazin-1-ylheptane-1-sulfonic acid

7-piperazin-1-ylheptane-1-sulfonic acid (PubChem CID 172879201) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 7-piperazin-1-ylheptane-1-sulfonic acid.

Molecular Properties

Compound Name7-piperazin-1-ylheptane-1-sulfonic acid
PubChem CID172879201
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name7-piperazin-1-ylheptane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCN1CCNCC1
InChIInChI=1S/C11H24N2O3S/c14-17(15,16)11-5-3-1-2-4-8-13-9-6-12-7-10-13/h12H,1-11H2,(H,14,15,16)
InChIKeyQWQJNCORZQCYJW-UHFFFAOYSA-N
XLogP0.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-ylheptane-1-sulfonic acid?
The IUPAC name of 7-piperazin-1-ylheptane-1-sulfonic acid (CID 172879201) is 7-piperazin-1-ylheptane-1-sulfonic acid.
What is the SMILES notation for 7-piperazin-1-ylheptane-1-sulfonic acid?
The canonical SMILES for 7-piperazin-1-ylheptane-1-sulfonic acid is O=S(=O)(O)CCCCCCCN1CCNCC1.
What is the InChIKey of 7-piperazin-1-ylheptane-1-sulfonic acid?
The InChIKey is QWQJNCORZQCYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c14-17(15,16)11-5-3-1-2-4-8-13-9-6-12-7-10-13/h12H,1-11H2,(H,14,15,16).
What are the key properties of 7-piperazin-1-ylheptane-1-sulfonic acid?
7-piperazin-1-ylheptane-1-sulfonic acid has a molecular weight of 264.39 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-ylheptane-1-sulfonic acid is sourced from PubChem (CID 172879201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).