1-benzylsulfonyl-4-ethylpiperazine

C13H20N2O2S — CID 645383

IUPAC1-benzylsulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-14-8-10-15(11-9-14)18(16,17)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyHGOXVZNUEXOIJA-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.15
Rot. Bonds4

About 1-benzylsulfonyl-4-ethylpiperazine

1-benzylsulfonyl-4-ethylpiperazine (PubChem CID 645383) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-ethylpiperazine
PubChem CID645383
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-benzylsulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-14-8-10-15(11-9-14)18(16,17)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyHGOXVZNUEXOIJA-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-ethylpiperazine?
The IUPAC name of 1-benzylsulfonyl-4-ethylpiperazine (CID 645383) is 1-benzylsulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-benzylsulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-ethylpiperazine?
The InChIKey is HGOXVZNUEXOIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-14-8-10-15(11-9-14)18(16,17)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of 1-benzylsulfonyl-4-ethylpiperazine?
1-benzylsulfonyl-4-ethylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-ethylpiperazine is sourced from PubChem (CID 645383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).