1-methylsulfanyl-4-methylsulfonylpiperazine

C6H14N2O2S2 — CID 130440323

IUPAC1-methylsulfanyl-4-methylsulfonylpiperazine
SMILESCSN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S2/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H2,1-2H3
InChIKeyLYAWZYHJHNQLGL-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.16
Rot. Bonds2

About 1-methylsulfanyl-4-methylsulfonylpiperazine

1-methylsulfanyl-4-methylsulfonylpiperazine (PubChem CID 130440323) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methylsulfanyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-methylsulfanyl-4-methylsulfonylpiperazine
PubChem CID130440323
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name1-methylsulfanyl-4-methylsulfonylpiperazine
SMILESCSN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S2/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H2,1-2H3
InChIKeyLYAWZYHJHNQLGL-UHFFFAOYSA-N
XLogP-0.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-methylsulfanyl-4-methylsulfonylpiperazine (CID 130440323) is 1-methylsulfanyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-methylsulfanyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-methylsulfanyl-4-methylsulfonylpiperazine is CSN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfanyl-4-methylsulfonylpiperazine?
The InChIKey is LYAWZYHJHNQLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H2,1-2H3.
What are the key properties of 1-methylsulfanyl-4-methylsulfonylpiperazine?
1-methylsulfanyl-4-methylsulfonylpiperazine has a molecular weight of 210.32 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 130440323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).