1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine

C12H22N4O2S — CID 63873088

IUPAC1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CC(C)NC(C)C2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-5-15-8-12(14-11(15)4)19(17,18)16-6-9(2)13-10(3)7-16/h8-10,13H,5-7H2,1-4H3
InChIKeyHJIXWKDHSPLEAH-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.58
Rot. Bonds3

About 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine

1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine (PubChem CID 63873088) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine
PubChem CID63873088
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CC(C)NC(C)C2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-5-15-8-12(14-11(15)4)19(17,18)16-6-9(2)13-10(3)7-16/h8-10,13H,5-7H2,1-4H3
InChIKeyHJIXWKDHSPLEAH-UHFFFAOYSA-N
XLogP0.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine?
The IUPAC name of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine (CID 63873088) is 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine.
What is the SMILES notation for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine?
The canonical SMILES for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine is CCn1cc(S(=O)(=O)N2CC(C)NC(C)C2)nc1C.
What is the InChIKey of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine?
The InChIKey is HJIXWKDHSPLEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-15-8-12(14-11(15)4)19(17,18)16-6-9(2)13-10(3)7-16/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine?
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine has a molecular weight of 286.40 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine is sourced from PubChem (CID 63873088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).