(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione

C20H28N4O4S — CID 9235504

IUPAC(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)c1
InChIInChI=1S/C20H28N4O4S/c1-14-4-5-15(2)17(12-14)29(27,28)23-10-8-22(9-11-23)13-24-18(25)20(3,16-6-7-16)21-19(24)26/h4-5,12,16H,6-11,13H2,1-3H3,(H,21,26)/t20-/m0/s1
InChIKeyOEIOPKBVGHOTIN-FQEVSTJZSA-N
MW420.54 g/mol
LogP1.29
Rot. Bonds5

About (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione

(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 9235504) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID9235504
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)c1
InChIInChI=1S/C20H28N4O4S/c1-14-4-5-15(2)17(12-14)29(27,28)23-10-8-22(9-11-23)13-24-18(25)20(3,16-6-7-16)21-19(24)26/h4-5,12,16H,6-11,13H2,1-3H3,(H,21,26)/t20-/m0/s1
InChIKeyOEIOPKBVGHOTIN-FQEVSTJZSA-N
XLogP1.29
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26941258
(5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 31325239
(5S)-5-cyclopropyl-3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 31325374
(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 34647547
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
8-methyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2120863
(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9193268
(5S)-3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9235330
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287
1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 52526261
3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
CID 18133819
(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
CID 99781725

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 9235504) is (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione is Cc1ccc(C)c(S(=O)(=O)N2CCN(CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)c1.
What is the InChIKey of (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is OEIOPKBVGHOTIN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-14-4-5-15(2)17(12-14)29(27,28)23-10-8-22(9-11-23)13-24-18(25)20(3,16-6-7-16)21-19(24)26/h4-5,12,16H,6-11,13H2,1-3H3,(H,21,26)/t20-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 420.54 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 9235504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).