2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine

C12H22N2S2 — CID 70648151

IUPAC2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine
SMILESC=C1NC(CCSC)C(=C)NC1CCSC
InChIInChI=1S/C12H22N2S2/c1-9-11(5-7-15-3)14-10(2)12(13-9)6-8-16-4/h11-14H,1-2,5-8H2,3-4H3
InChIKeyHTYOZCQLGGKGEP-UHFFFAOYSA-N
MW258.46 g/mol
LogP2.45
Rot. Bonds6

About 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine

2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine (PubChem CID 70648151) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine
PubChem CID70648151
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC Name2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine
SMILESC=C1NC(CCSC)C(=C)NC1CCSC
InChIInChI=1S/C12H22N2S2/c1-9-11(5-7-15-3)14-10(2)12(13-9)6-8-16-4/h11-14H,1-2,5-8H2,3-4H3
InChIKeyHTYOZCQLGGKGEP-UHFFFAOYSA-N
XLogP2.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine?
The IUPAC name of 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine (CID 70648151) is 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine is C=C1NC(CCSC)C(=C)NC1CCSC.
What is the InChIKey of 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine?
The InChIKey is HTYOZCQLGGKGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-9-11(5-7-15-3)14-10(2)12(13-9)6-8-16-4/h11-14H,1-2,5-8H2,3-4H3.
What are the key properties of 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine?
2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine has a molecular weight of 258.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 70648151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).