1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one

C20H25N4O4S+ — CID 8692344

IUPAC1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H24N4O4S/c1-15(19(25)24-9-8-21-20(24)26)22-10-12-23(13-11-22)29(27,28)18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15H,8-13H2,1H3,(H,21,26)/p+1/t15-/m0/s1
InChIKeyKRGJAYRBJZHNIM-HNNXBMFYSA-O
MW417.51 g/mol
LogP-0.33
Rot. Bonds4

About 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one

1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one (PubChem CID 8692344) has the molecular formula C20H25N4O4S+ and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
PubChem CID8692344
Molecular FormulaC20H25N4O4S+
Molecular Weight417.51 g/mol
Exact Mass417.16
IUPAC Name1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H24N4O4S/c1-15(19(25)24-9-8-21-20(24)26)22-10-12-23(13-11-22)29(27,28)18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15H,8-13H2,1H3,(H,21,26)/p+1/t15-/m0/s1
InChIKeyKRGJAYRBJZHNIM-HNNXBMFYSA-O
XLogP-0.33
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8692349
(2R)-N-tert-butyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9493856
(2R)-N-(2-methoxyethyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9493851
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile
CID 8743070
1-[(2S)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8595838
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 8986880
1-[(2S)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8754338
1-[(2S)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanoyl]imidazolidin-2-one
CID 8549926
1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45351245
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134780
1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45352776

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one (CID 8692344) is 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one is C[C@@H](C(=O)N1CCNC1=O)[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one?
The InChIKey is KRGJAYRBJZHNIM-HNNXBMFYSA-O. The full InChI is InChI=1S/C20H24N4O4S/c1-15(19(25)24-9-8-21-20(24)26)22-10-12-23(13-11-22)29(27,28)18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15H,8-13H2,1H3,(H,21,26)/p+1/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one?
1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one has a molecular weight of 417.51 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8692344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).