1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

C17H26N4O3S — CID 3236897

IUPAC1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C)CC3)C2)cc1
InChIInChI=1S/C17H26N4O3S/c1-15-3-5-16(6-4-15)25(23,24)21-12-11-20(14-21)17(22)13-19-9-7-18(2)8-10-19/h3-6H,7-14H2,1-2H3
InChIKeyDZASGHXFPPKDHN-UHFFFAOYSA-N
MW366.49 g/mol
LogP0.03
Rot. Bonds4

About 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 3236897) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID3236897
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C)CC3)C2)cc1
InChIInChI=1S/C17H26N4O3S/c1-15-3-5-16(6-4-15)25(23,24)21-12-11-20(14-21)17(22)13-19-9-7-18(2)8-10-19/h3-6H,7-14H2,1-2H3
InChIKeyDZASGHXFPPKDHN-UHFFFAOYSA-N
XLogP0.03
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (CID 3236897) is 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C)CC3)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is DZASGHXFPPKDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-15-3-5-16(6-4-15)25(23,24)21-12-11-20(14-21)17(22)13-19-9-7-18(2)8-10-19/h3-6H,7-14H2,1-2H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 366.49 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3236897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).