1-(1-methylimidazol-4-yl)sulfonylpiperazine

C8H14N4O2S — CID 20735186

IUPAC1-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C8H14N4O2S/c1-11-6-8(10-7-11)15(13,14)12-4-2-9-3-5-12/h6-7,9H,2-5H2,1H3
InChIKeyWZERJKZDVDESRT-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.99
Rot. Bonds2

About 1-(1-methylimidazol-4-yl)sulfonylpiperazine

1-(1-methylimidazol-4-yl)sulfonylpiperazine (PubChem CID 20735186) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonylpiperazine
PubChem CID20735186
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name1-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C8H14N4O2S/c1-11-6-8(10-7-11)15(13,14)12-4-2-9-3-5-12/h6-7,9H,2-5H2,1H3
InChIKeyWZERJKZDVDESRT-UHFFFAOYSA-N
XLogP-0.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonylpiperazine (CID 20735186) is 1-(1-methylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonylpiperazine is Cn1cnc(S(=O)(=O)N2CCNCC2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is WZERJKZDVDESRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-11-6-8(10-7-11)15(13,14)12-4-2-9-3-5-12/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonylpiperazine?
1-(1-methylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 230.29 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 20735186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).