6-piperazin-1-ylhexyl methanesulfonate

C11H24N2O3S — CID 19894629

IUPAC6-piperazin-1-ylhexyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCCN1CCNCC1
InChIInChI=1S/C11H24N2O3S/c1-17(14,15)16-11-5-3-2-4-8-13-9-6-12-7-10-13/h12H,2-11H2,1H3
InChIKeyRIHXPCQJFUANDI-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds8

About 6-piperazin-1-ylhexyl methanesulfonate

6-piperazin-1-ylhexyl methanesulfonate (PubChem CID 19894629) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 6-piperazin-1-ylhexyl methanesulfonate.

Molecular Properties

Compound Name6-piperazin-1-ylhexyl methanesulfonate
PubChem CID19894629
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name6-piperazin-1-ylhexyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCCN1CCNCC1
InChIInChI=1S/C11H24N2O3S/c1-17(14,15)16-11-5-3-2-4-8-13-9-6-12-7-10-13/h12H,2-11H2,1H3
InChIKeyRIHXPCQJFUANDI-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylhexyl methanesulfonate?
The IUPAC name of 6-piperazin-1-ylhexyl methanesulfonate (CID 19894629) is 6-piperazin-1-ylhexyl methanesulfonate.
What is the SMILES notation for 6-piperazin-1-ylhexyl methanesulfonate?
The canonical SMILES for 6-piperazin-1-ylhexyl methanesulfonate is CS(=O)(=O)OCCCCCCN1CCNCC1.
What is the InChIKey of 6-piperazin-1-ylhexyl methanesulfonate?
The InChIKey is RIHXPCQJFUANDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-17(14,15)16-11-5-3-2-4-8-13-9-6-12-7-10-13/h12H,2-11H2,1H3.
What are the key properties of 6-piperazin-1-ylhexyl methanesulfonate?
6-piperazin-1-ylhexyl methanesulfonate has a molecular weight of 264.39 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylhexyl methanesulfonate is sourced from PubChem (CID 19894629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).