1,4-bis(methylsulfinyl)piperazine

C6H14N2O2S2 — CID 6421321

IUPAC1,4-bis(methylsulfinyl)piperazine
SMILESCS(=O)N1CCN(S(C)=O)CC1
InChIInChI=1S/C6H14N2O2S2/c1-11(9)7-3-5-8(6-4-7)12(2)10/h3-6H2,1-2H3
InChIKeyRMJHIKJREWNMEG-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.81
Rot. Bonds2

About 1,4-bis(methylsulfinyl)piperazine

1,4-bis(methylsulfinyl)piperazine (PubChem CID 6421321) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,4-bis(methylsulfinyl)piperazine.

Molecular Properties

Compound Name1,4-bis(methylsulfinyl)piperazine
PubChem CID6421321
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name1,4-bis(methylsulfinyl)piperazine
SMILESCS(=O)N1CCN(S(C)=O)CC1
InChIInChI=1S/C6H14N2O2S2/c1-11(9)7-3-5-8(6-4-7)12(2)10/h3-6H2,1-2H3
InChIKeyRMJHIKJREWNMEG-UHFFFAOYSA-N
XLogP-0.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Bis(methylsulfonyl)piperazine
CID 234936
1-(Methanesulfonyl)-4-methylpiperazine
CID 817770
1-Ethyl-4-(methylsulfonyl)piperazine
CID 4205089
1-Methyl-4-methylsulfinylpiperazine
CID 23530689
1-Fluoro-4-methylsulfonylpiperazine
CID 91190215
4-Methylsulfonylpiperazine-1-sulfonyl fluoride
CID 158269768
N,N-diethyl-4-methylsulfonylpiperazine-1-sulfonamide
CID 40123183
1,1-Dimethyl-4-methylsulfonylpiperazin-1-ium
CID 20614578
1,4-Bis(methylsulfanyl)piperazine
CID 20632520
CID 57540980
CID 57540980
CID 57585197
CID 57585197
CID 57585238
CID 57585238

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methylsulfinyl)piperazine?
The IUPAC name of 1,4-bis(methylsulfinyl)piperazine (CID 6421321) is 1,4-bis(methylsulfinyl)piperazine.
What is the SMILES notation for 1,4-bis(methylsulfinyl)piperazine?
The canonical SMILES for 1,4-bis(methylsulfinyl)piperazine is CS(=O)N1CCN(S(C)=O)CC1.
What is the InChIKey of 1,4-bis(methylsulfinyl)piperazine?
The InChIKey is RMJHIKJREWNMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-11(9)7-3-5-8(6-4-7)12(2)10/h3-6H2,1-2H3.
What are the key properties of 1,4-bis(methylsulfinyl)piperazine?
1,4-bis(methylsulfinyl)piperazine has a molecular weight of 210.32 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methylsulfinyl)piperazine is sourced from PubChem (CID 6421321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).