1-prop-2-enylsulfonylpiperazine

C7H14N2O2S — CID 67310159

IUPAC1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O2S/c1-2-7-12(10,11)9-5-3-8-4-6-9/h2,8H,1,3-7H2
InChIKeyOSEHEMCERRIFMQ-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.59
Rot. Bonds3

About 1-prop-2-enylsulfonylpiperazine

1-prop-2-enylsulfonylpiperazine (PubChem CID 67310159) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-prop-2-enylsulfonylpiperazine.

Molecular Properties

Compound Name1-prop-2-enylsulfonylpiperazine
PubChem CID67310159
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O2S/c1-2-7-12(10,11)9-5-3-8-4-6-9/h2,8H,1,3-7H2
InChIKeyOSEHEMCERRIFMQ-UHFFFAOYSA-N
XLogP-0.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.59
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-prop-2-enylsulfonylpiperazine?
The IUPAC name of 1-prop-2-enylsulfonylpiperazine (CID 67310159) is 1-prop-2-enylsulfonylpiperazine.
What is the SMILES notation for 1-prop-2-enylsulfonylpiperazine?
The canonical SMILES for 1-prop-2-enylsulfonylpiperazine is C=CCS(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-prop-2-enylsulfonylpiperazine?
The InChIKey is OSEHEMCERRIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-2-7-12(10,11)9-5-3-8-4-6-9/h2,8H,1,3-7H2.
What are the key properties of 1-prop-2-enylsulfonylpiperazine?
1-prop-2-enylsulfonylpiperazine has a molecular weight of 190.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfonylpiperazine is sourced from PubChem (CID 67310159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).