1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine

C12H20N2O2S2 — CID 63910226

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2C(C)CNCC2C)s1
InChIInChI=1S/C12H20N2O2S2/c1-4-11-5-6-12(17-11)18(15,16)14-9(2)7-13-8-10(14)3/h5-6,9-10,13H,4,7-8H2,1-3H3
InChIKeyQXLZMBYINNFOCT-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.68
Rot. Bonds3

About 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine

1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine (PubChem CID 63910226) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine
PubChem CID63910226
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2C(C)CNCC2C)s1
InChIInChI=1S/C12H20N2O2S2/c1-4-11-5-6-12(17-11)18(15,16)14-9(2)7-13-8-10(14)3/h5-6,9-10,13H,4,7-8H2,1-3H3
InChIKeyQXLZMBYINNFOCT-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine (CID 63910226) is 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine is CCc1ccc(S(=O)(=O)N2C(C)CNCC2C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine?
The InChIKey is QXLZMBYINNFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-4-11-5-6-12(17-11)18(15,16)14-9(2)7-13-8-10(14)3/h5-6,9-10,13H,4,7-8H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine?
1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine is sourced from PubChem (CID 63910226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).