1-(2-prop-2-enylsulfanylethyl)piperazine

C9H18N2S — CID 106429747

IUPAC1-(2-prop-2-enylsulfanylethyl)piperazine
SMILESC=CCSCCN1CCNCC1
InChIInChI=1S/C9H18N2S/c1-2-8-12-9-7-11-5-3-10-4-6-11/h2,10H,1,3-9H2
InChIKeyLHFRAVBLEAMJQP-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.81
Rot. Bonds5

About 1-(2-prop-2-enylsulfanylethyl)piperazine

1-(2-prop-2-enylsulfanylethyl)piperazine (PubChem CID 106429747) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(2-prop-2-enylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(2-prop-2-enylsulfanylethyl)piperazine
PubChem CID106429747
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-(2-prop-2-enylsulfanylethyl)piperazine
SMILESC=CCSCCN1CCNCC1
InChIInChI=1S/C9H18N2S/c1-2-8-12-9-7-11-5-3-10-4-6-11/h2,10H,1,3-9H2
InChIKeyLHFRAVBLEAMJQP-UHFFFAOYSA-N
XLogP0.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Prop-2-enylsulfanyl piperazine-1-carbodithioate
CID 134988101
4-Prop-2-enylthiomorpholin-4-ium
CID 52141751
1-(Prop-2-enylsulfanylmethyl)piperazine
CID 68130499
2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
3,4-dihydro-2-piperazinomethyl-2H-(1,3)-thiazine
CID 131712935
1-(2H-thiet-2-yl)piperazine
CID 139929127
1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine
CID 142187961
Ethene;trimethyl(2-piperazin-1-ylethyl)-lambda4-sulfane
CID 143610301
N-[2-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylethyl]-N',N'-dimethylethane-1,2-diamine
CID 144977013
Prop-2-enyl piperazine-1-carbodithioate
CID 153529787
But-2-enyl piperazine-1-carbodithioate
CID 153529794
N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]prop-2-en-1-amine
CID 62553911

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylsulfanylethyl)piperazine?
The IUPAC name of 1-(2-prop-2-enylsulfanylethyl)piperazine (CID 106429747) is 1-(2-prop-2-enylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(2-prop-2-enylsulfanylethyl)piperazine?
The canonical SMILES for 1-(2-prop-2-enylsulfanylethyl)piperazine is C=CCSCCN1CCNCC1.
What is the InChIKey of 1-(2-prop-2-enylsulfanylethyl)piperazine?
The InChIKey is LHFRAVBLEAMJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-8-12-9-7-11-5-3-10-4-6-11/h2,10H,1,3-9H2.
What are the key properties of 1-(2-prop-2-enylsulfanylethyl)piperazine?
1-(2-prop-2-enylsulfanylethyl)piperazine has a molecular weight of 186.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylsulfanylethyl)piperazine is sourced from PubChem (CID 106429747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).