5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one

C11H20N2OS2 — CID 70648148

IUPAC5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one
SMILESC=C1NC(CCSC)C(=O)NC1CCSC
InChIInChI=1S/C11H20N2OS2/c1-8-9(4-6-15-2)13-11(14)10(12-8)5-7-16-3/h9-10,12H,1,4-7H2,2-3H3,(H,13,14)
InChIKeyCTESKAOHZJSSOW-UHFFFAOYSA-N
MW260.43 g/mol
LogP1.46
Rot. Bonds6

About 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one

5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one (PubChem CID 70648148) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one.

Molecular Properties

Compound Name5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one
PubChem CID70648148
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC Name5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one
SMILESC=C1NC(CCSC)C(=O)NC1CCSC
InChIInChI=1S/C11H20N2OS2/c1-8-9(4-6-15-2)13-11(14)10(12-8)5-7-16-3/h9-10,12H,1,4-7H2,2-3H3,(H,13,14)
InChIKeyCTESKAOHZJSSOW-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one?
The IUPAC name of 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one (CID 70648148) is 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one.
What is the SMILES notation for 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one?
The canonical SMILES for 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one is C=C1NC(CCSC)C(=O)NC1CCSC.
What is the InChIKey of 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one?
The InChIKey is CTESKAOHZJSSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-8-9(4-6-15-2)13-11(14)10(12-8)5-7-16-3/h9-10,12H,1,4-7H2,2-3H3,(H,13,14).
What are the key properties of 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one?
5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one has a molecular weight of 260.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one is sourced from PubChem (CID 70648148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).