1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone

C15H25N5O3S — CID 20947148

IUPAC1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C15H25N5O3S/c1-2-17-7-9-19(10-8-17)15(21)12-18-11-14(16-13-18)24(22,23)20-5-3-4-6-20/h11,13H,2-10,12H2,1H3
InChIKeySSDXLYFWPRTPHU-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.17
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone

1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone (PubChem CID 20947148) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
PubChem CID20947148
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C15H25N5O3S/c1-2-17-7-9-19(10-8-17)15(21)12-18-11-14(16-13-18)24(22,23)20-5-3-4-6-20/h11,13H,2-10,12H2,1H3
InChIKeySSDXLYFWPRTPHU-UHFFFAOYSA-N
XLogP-0.17
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,4S)-4-fluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875946
1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide
CID 2810874
1-(1-((1-methyl-1H-imidazol-4-yl)sulfonyl)azetidin-3-yl)pyrrolidine-2,5-dione
CID 76151230
2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide
CID 89483486
1-Methyl-4-pyrrolidin-1-ylsulfonylimidazole
CID 20958597
2-[(1-methylimidazol-4-yl)sulfonylamino]-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812306
2-[(1-methylimidazol-4-yl)sulfonylamino]-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812307
(4,4-Difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 120955001
4-(fluoromethyl)-1-(1-{[1-(propan-2-yl)-1H-imidazol-4-yl]sulfonyl}piperidin-4-yl)pyrrolidin-2-one
CID 126899733
1-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-4-(fluoromethyl)pyrrolidin-2-one
CID 126899734
1-[(1,2-Dimethyl-1H-imidazol-4-YL)sulfonyl]-3-fluoro-3-(pyrrolidine-1-carbonyl)piperidine
CID 132338876
3-Fluoro-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]-3-(pyrrolidine-1-carbonyl)piperidine
CID 132338878

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone (CID 20947148) is 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone is CCN1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone?
The InChIKey is SSDXLYFWPRTPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-2-17-7-9-19(10-8-17)15(21)12-18-11-14(16-13-18)24(22,23)20-5-3-4-6-20/h11,13H,2-10,12H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone has a molecular weight of 355.46 g/mol, XLogP of -0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone is sourced from PubChem (CID 20947148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).