1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one

C19H29N4O4S+ — CID 8747738

IUPAC1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](CC(=O)N3CCNC3=O)CC2)c1C
InChIInChI=1S/C19H28N4O4S/c1-13-11-14(2)16(4)18(15(13)3)28(26,27)22-9-7-21(8-10-22)12-17(24)23-6-5-20-19(23)25/h11H,5-10,12H2,1-4H3,(H,20,25)/p+1
InChIKeyXCAKSRXKKYBYPB-UHFFFAOYSA-O
MW409.53 g/mol
LogP-0.64
Rot. Bonds4

About 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one

1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one (PubChem CID 8747738) has the molecular formula C19H29N4O4S+ and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one
PubChem CID8747738
Molecular FormulaC19H29N4O4S+
Molecular Weight409.53 g/mol
Exact Mass409.19
IUPAC Name1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](CC(=O)N3CCNC3=O)CC2)c1C
InChIInChI=1S/C19H28N4O4S/c1-13-11-14(2)16(4)18(15(13)3)28(26,27)22-9-7-21(8-10-22)12-17(24)23-6-5-20-19(23)25/h11H,5-10,12H2,1-4H3,(H,20,25)/p+1
InChIKeyXCAKSRXKKYBYPB-UHFFFAOYSA-O
XLogP-0.64
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
CID 9367747
N-ethyl-2-[[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8688792
N-(3,5-dichlorophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2698117
N-[(2-chlorophenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2500391
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8688752
1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium
CID 7406129
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone
CID 9398805
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 27577632
4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
CID 81097436
1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium
CID 8689036
5-methyl-4-propan-2-yl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol
CID 2502899

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one (CID 8747738) is 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one is Cc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](CC(=O)N3CCNC3=O)CC2)c1C.
What is the InChIKey of 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is XCAKSRXKKYBYPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N4O4S/c1-13-11-14(2)16(4)18(15(13)3)28(26,27)22-9-7-21(8-10-22)12-17(24)23-6-5-20-19(23)25/h11H,5-10,12H2,1-4H3,(H,20,25)/p+1.
What are the key properties of 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one?
1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 409.53 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 8747738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).