1-ethylsulfonyl-4-methylsulfonylpiperazine

C7H16N2O4S2 — CID 3145546

IUPAC1-ethylsulfonyl-4-methylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H16N2O4S2/c1-3-15(12,13)9-6-4-8(5-7-9)14(2,10)11/h3-7H2,1-2H3
InChIKeyGULCYNZEZZATFE-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.09
Rot. Bonds3

About 1-ethylsulfonyl-4-methylsulfonylpiperazine

1-ethylsulfonyl-4-methylsulfonylpiperazine (PubChem CID 3145546) has the molecular formula C7H16N2O4S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-methylsulfonylpiperazine
PubChem CID3145546
Molecular FormulaC7H16N2O4S2
Molecular Weight256.35 g/mol
Exact Mass256.06
IUPAC Name1-ethylsulfonyl-4-methylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H16N2O4S2/c1-3-15(12,13)9-6-4-8(5-7-9)14(2,10)11/h3-7H2,1-2H3
InChIKeyGULCYNZEZZATFE-UHFFFAOYSA-N
XLogP-1.09
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-ethylsulfonyl-4-methylsulfonylpiperazine (CID 3145546) is 1-ethylsulfonyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-4-methylsulfonylpiperazine is CCS(=O)(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-methylsulfonylpiperazine?
The InChIKey is GULCYNZEZZATFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S2/c1-3-15(12,13)9-6-4-8(5-7-9)14(2,10)11/h3-7H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-methylsulfonylpiperazine?
1-ethylsulfonyl-4-methylsulfonylpiperazine has a molecular weight of 256.35 g/mol, XLogP of -1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 3145546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).