1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C16H24N4O4S2 — CID 121477840

IUPAC1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H24N4O4S2/c1-3-18-10-12-19(13-11-18)16-17-8-9-20(16)26(23,24)15-6-4-14(5-7-15)25(2,21)22/h4-7H,3,8-13H2,1-2H3
InChIKeyCYYFFVJPNQCFDY-UHFFFAOYSA-N
MW400.53 g/mol
LogP0.09
Rot. Bonds4

About 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477840) has the molecular formula C16H24N4O4S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477840
Molecular FormulaC16H24N4O4S2
Molecular Weight400.53 g/mol
Exact Mass400.12
IUPAC Name1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H24N4O4S2/c1-3-18-10-12-19(13-11-18)16-17-8-9-20(16)26(23,24)15-6-4-14(5-7-15)25(2,21)22/h4-7H,3,8-13H2,1-2H3
InChIKeyCYYFFVJPNQCFDY-UHFFFAOYSA-N
XLogP0.09
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477840) is 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is CYYFFVJPNQCFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S2/c1-3-18-10-12-19(13-11-18)16-17-8-9-20(16)26(23,24)15-6-4-14(5-7-15)25(2,21)22/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 400.53 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(4-methylsulfonylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).