1-but-3-enylsulfonylpiperazine;hydrochloride

C8H17ClN2O2S — CID 119961759

IUPAC1-but-3-enylsulfonylpiperazine;hydrochloride
SMILESC=CCCS(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H16N2O2S.ClH/c1-2-3-8-13(11,12)10-6-4-9-5-7-10;/h2,9H,1,3-8H2;1H
InChIKeyARSGSFLOKSEEQY-UHFFFAOYSA-N
MW240.76 g/mol
LogP0.22
Rot. Bonds4

About 1-but-3-enylsulfonylpiperazine;hydrochloride

1-but-3-enylsulfonylpiperazine;hydrochloride (PubChem CID 119961759) has the molecular formula C8H17ClN2O2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 1-but-3-enylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-but-3-enylsulfonylpiperazine;hydrochloride
PubChem CID119961759
Molecular FormulaC8H17ClN2O2S
Molecular Weight240.76 g/mol
Exact Mass240.07
IUPAC Name1-but-3-enylsulfonylpiperazine;hydrochloride
SMILESC=CCCS(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H16N2O2S.ClH/c1-2-3-8-13(11,12)10-6-4-9-5-7-10;/h2,9H,1,3-8H2;1H
InChIKeyARSGSFLOKSEEQY-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enylsulfonylpiperazine;hydrochloride?
The IUPAC name of 1-but-3-enylsulfonylpiperazine;hydrochloride (CID 119961759) is 1-but-3-enylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-but-3-enylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-but-3-enylsulfonylpiperazine;hydrochloride is C=CCCS(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of 1-but-3-enylsulfonylpiperazine;hydrochloride?
The InChIKey is ARSGSFLOKSEEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S.ClH/c1-2-3-8-13(11,12)10-6-4-9-5-7-10;/h2,9H,1,3-8H2;1H.
What are the key properties of 1-but-3-enylsulfonylpiperazine;hydrochloride?
1-but-3-enylsulfonylpiperazine;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119961759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).