1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine

C10H17ClN4O2S — CID 43415123

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C10H17ClN4O2S/c1-3-14-4-6-15(7-5-14)18(16,17)10-9(11)13(2)8-12-10/h8H,3-7H2,1-2H3
InChIKeyILLAGFGPNHNGHN-UHFFFAOYSA-N
MW292.79 g/mol
LogP0.40
Rot. Bonds3

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine (PubChem CID 43415123) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine
PubChem CID43415123
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C10H17ClN4O2S/c1-3-14-4-6-15(7-5-14)18(16,17)10-9(11)13(2)8-12-10/h8H,3-7H2,1-2H3
InChIKeyILLAGFGPNHNGHN-UHFFFAOYSA-N
XLogP0.40
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine (CID 43415123) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine?
The InChIKey is ILLAGFGPNHNGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2S/c1-3-14-4-6-15(7-5-14)18(16,17)10-9(11)13(2)8-12-10/h8H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine has a molecular weight of 292.79 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 43415123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).