1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine

C11H20N2O2S — CID 142591714

IUPAC1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine
SMILESC=C/C(=C\C)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H20N2O2S/c1-4-11(5-2)12-7-9-13(10-8-12)16(14,15)6-3/h4-5H,1,6-10H2,2-3H3/b11-5+
InChIKeyAVPFLCCVOZANAX-VZUCSPMQSA-N
MW244.36 g/mol
LogP1.04
Rot. Bonds4

About 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine

1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine (PubChem CID 142591714) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine
PubChem CID142591714
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine
SMILESC=C/C(=C\C)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H20N2O2S/c1-4-11(5-2)12-7-9-13(10-8-12)16(14,15)6-3/h4-5H,1,6-10H2,2-3H3/b11-5+
InChIKeyAVPFLCCVOZANAX-VZUCSPMQSA-N
XLogP1.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine?
The IUPAC name of 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine (CID 142591714) is 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine is C=C/C(=C\C)N1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine?
The InChIKey is AVPFLCCVOZANAX-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-11(5-2)12-7-9-13(10-8-12)16(14,15)6-3/h4-5H,1,6-10H2,2-3H3/b11-5+.
What are the key properties of 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine?
1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine has a molecular weight of 244.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-[(3E)-penta-1,3-dien-3-yl]piperazine is sourced from PubChem (CID 142591714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).