1-pentyl-2-sulfonylpiperazine

C9H18N2O2S — CID 87614096

IUPAC1-pentyl-2-sulfonylpiperazine
SMILESCCCCCN1CCNCC1=S(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-2-3-4-6-11-7-5-10-8-9(11)14(12)13/h10H,2-8H2,1H3
InChIKeyBAULTUAIDVHPQA-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.09
Rot. Bonds4

About 1-pentyl-2-sulfonylpiperazine

1-pentyl-2-sulfonylpiperazine (PubChem CID 87614096) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-pentyl-2-sulfonylpiperazine.

Molecular Properties

Compound Name1-pentyl-2-sulfonylpiperazine
PubChem CID87614096
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-pentyl-2-sulfonylpiperazine
SMILESCCCCCN1CCNCC1=S(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-2-3-4-6-11-7-5-10-8-9(11)14(12)13/h10H,2-8H2,1H3
InChIKeyBAULTUAIDVHPQA-UHFFFAOYSA-N
XLogP0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-sulfonylpiperazine?
The IUPAC name of 1-pentyl-2-sulfonylpiperazine (CID 87614096) is 1-pentyl-2-sulfonylpiperazine.
What is the SMILES notation for 1-pentyl-2-sulfonylpiperazine?
The canonical SMILES for 1-pentyl-2-sulfonylpiperazine is CCCCCN1CCNCC1=S(=O)=O.
What is the InChIKey of 1-pentyl-2-sulfonylpiperazine?
The InChIKey is BAULTUAIDVHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-3-4-6-11-7-5-10-8-9(11)14(12)13/h10H,2-8H2,1H3.
What are the key properties of 1-pentyl-2-sulfonylpiperazine?
1-pentyl-2-sulfonylpiperazine has a molecular weight of 218.32 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-sulfonylpiperazine is sourced from PubChem (CID 87614096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).