1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine

C10H18N2S — CID 142187961

IUPAC1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine
SMILESC=C/C=C(/CN1CCNCC1)SC
InChIInChI=1S/C10H18N2S/c1-3-4-10(13-2)9-12-7-5-11-6-8-12/h3-4,11H,1,5-9H2,2H3/b10-4-
InChIKeyVESZCXYDEMFRLR-WMZJFQQLSA-N
MW198.33 g/mol
LogP1.32
Rot. Bonds4

About 1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine

1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine (PubChem CID 142187961) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine.

Molecular Properties

Compound Name1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine
PubChem CID142187961
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine
SMILESC=C/C=C(/CN1CCNCC1)SC
InChIInChI=1S/C10H18N2S/c1-3-4-10(13-2)9-12-7-5-11-6-8-12/h3-4,11H,1,5-9H2,2H3/b10-4-
InChIKeyVESZCXYDEMFRLR-WMZJFQQLSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
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-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine?
The IUPAC name of 1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine (CID 142187961) is 1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine.
What is the SMILES notation for 1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine?
The canonical SMILES for 1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine is C=C/C=C(/CN1CCNCC1)SC.
What is the InChIKey of 1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine?
The InChIKey is VESZCXYDEMFRLR-WMZJFQQLSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-4-10(13-2)9-12-7-5-11-6-8-12/h3-4,11H,1,5-9H2,2H3/b10-4-.
What are the key properties of 1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine?
1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine has a molecular weight of 198.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine is sourced from PubChem (CID 142187961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).