1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine

C11H20N4O2S — CID 79373309

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine
SMILESCCn1cnc(S(=O)(=O)N2CCNCC2(C)C)c1
InChIInChI=1S/C11H20N4O2S/c1-4-14-7-10(13-9-14)18(16,17)15-6-5-12-8-11(15,2)3/h7,9,12H,4-6,8H2,1-3H3
InChIKeyCKJHVBYQCYPZDA-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.28
Rot. Bonds3

About 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine

1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine (PubChem CID 79373309) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine
PubChem CID79373309
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine
SMILESCCn1cnc(S(=O)(=O)N2CCNCC2(C)C)c1
InChIInChI=1S/C11H20N4O2S/c1-4-14-7-10(13-9-14)18(16,17)15-6-5-12-8-11(15,2)3/h7,9,12H,4-6,8H2,1-3H3
InChIKeyCKJHVBYQCYPZDA-UHFFFAOYSA-N
XLogP0.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine (CID 79373309) is 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine is CCn1cnc(S(=O)(=O)N2CCNCC2(C)C)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine?
The InChIKey is CKJHVBYQCYPZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-14-7-10(13-9-14)18(16,17)15-6-5-12-8-11(15,2)3/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine?
1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine has a molecular weight of 272.37 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazine is sourced from PubChem (CID 79373309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).