ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane

C11H26N2S — CID 143610301

IUPACethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane
SMILESC=C.CS(C)(C)CCN1CCNCC1
InChIInChI=1S/C9H22N2S.C2H4/c1-12(2,3)9-8-11-6-4-10-5-7-11;1-2/h10H,4-9H2,1-3H3;1-2H2
InChIKeyTYRQYLILRJOYIR-UHFFFAOYSA-N
MW218.41 g/mol
LogP1.39
Rot. Bonds3

About ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane

ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane (PubChem CID 143610301) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane.

Molecular Properties

Compound Nameethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane
PubChem CID143610301
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC Nameethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane
SMILESC=C.CS(C)(C)CCN1CCNCC1
InChIInChI=1S/C9H22N2S.C2H4/c1-12(2,3)9-8-11-6-4-10-5-7-11;1-2/h10H,4-9H2,1-3H3;1-2H2
InChIKeyTYRQYLILRJOYIR-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane?
The IUPAC name of ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane (CID 143610301) is ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane.
What is the SMILES notation for ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane?
The canonical SMILES for ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane is C=C.CS(C)(C)CCN1CCNCC1.
What is the InChIKey of ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane?
The InChIKey is TYRQYLILRJOYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2S.C2H4/c1-12(2,3)9-8-11-6-4-10-5-7-11;1-2/h10H,4-9H2,1-3H3;1-2H2.
What are the key properties of ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane?
ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane has a molecular weight of 218.41 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane is sourced from PubChem (CID 143610301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).