2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide

C12H23N3O2S — CID 54973727

IUPAC2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C12H23N3O2S/c1-3-7-15(8-4-2)18(16,17)12-11-14-9-5-13-6-10-14/h3-4,13H,1-2,5-12H2
InChIKeyOXKNDGKQDCMAHU-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.10
Rot. Bonds8

About 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide

2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide (PubChem CID 54973727) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide
PubChem CID54973727
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C12H23N3O2S/c1-3-7-15(8-4-2)18(16,17)12-11-14-9-5-13-6-10-14/h3-4,13H,1-2,5-12H2
InChIKeyOXKNDGKQDCMAHU-UHFFFAOYSA-N
XLogP-0.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide?
The IUPAC name of 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide (CID 54973727) is 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide.
What is the SMILES notation for 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide?
The canonical SMILES for 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide is C=CCN(CC=C)S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide?
The InChIKey is OXKNDGKQDCMAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-3-7-15(8-4-2)18(16,17)12-11-14-9-5-13-6-10-14/h3-4,13H,1-2,5-12H2.
What are the key properties of 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide?
2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide has a molecular weight of 273.40 g/mol, XLogP of -0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N,N-bis(prop-2-enyl)ethanesulfonamide is sourced from PubChem (CID 54973727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).