ethane;1-prop-2-enylsulfonylpiperazine

C9H20N2O2S — CID 174511282

IUPACethane;1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNCC1.CC
InChIInChI=1S/C7H14N2O2S.C2H6/c1-2-7-12(10,11)9-5-3-8-4-6-9;1-2/h2,8H,1,3-7H2;1-2H3
InChIKeyHOHXJROXHRBMET-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.43
Rot. Bonds3

About ethane;1-prop-2-enylsulfonylpiperazine

ethane;1-prop-2-enylsulfonylpiperazine (PubChem CID 174511282) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is ethane;1-prop-2-enylsulfonylpiperazine.

Molecular Properties

Compound Nameethane;1-prop-2-enylsulfonylpiperazine
PubChem CID174511282
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Nameethane;1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNCC1.CC
InChIInChI=1S/C7H14N2O2S.C2H6/c1-2-7-12(10,11)9-5-3-8-4-6-9;1-2/h2,8H,1,3-7H2;1-2H3
InChIKeyHOHXJROXHRBMET-UHFFFAOYSA-N
XLogP0.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.43
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 ethane;1-prop-2-enylsulfonylpiperazine?
The IUPAC name of ethane;1-prop-2-enylsulfonylpiperazine (CID 174511282) is ethane;1-prop-2-enylsulfonylpiperazine.
What is the SMILES notation for ethane;1-prop-2-enylsulfonylpiperazine?
The canonical SMILES for ethane;1-prop-2-enylsulfonylpiperazine is C=CCS(=O)(=O)N1CCNCC1.CC.
What is the InChIKey of ethane;1-prop-2-enylsulfonylpiperazine?
The InChIKey is HOHXJROXHRBMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S.C2H6/c1-2-7-12(10,11)9-5-3-8-4-6-9;1-2/h2,8H,1,3-7H2;1-2H3.
What are the key properties of ethane;1-prop-2-enylsulfonylpiperazine?
ethane;1-prop-2-enylsulfonylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-2-enylsulfonylpiperazine is sourced from PubChem (CID 174511282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).