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

C18H23BrN4O4S — CID 31325239

IUPAC(5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccccc3Br)CC2)C1=O
InChIInChI=1S/C18H23BrN4O4S/c1-18(13-6-7-13)16(24)23(17(25)20-18)12-21-8-10-22(11-9-21)28(26,27)15-5-3-2-4-14(15)19/h2-5,13H,6-12H2,1H3,(H,20,25)/t18-/m1/s1
InChIKeyQJJHMQXVKXIPJW-GOSISDBHSA-N
MW471.38 g/mol
LogP1.43
Rot. Bonds5

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

(5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 31325239) has the molecular formula C18H23BrN4O4S and a molecular weight of 471.38 g/mol. Its IUPAC name is (5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID31325239
Molecular FormulaC18H23BrN4O4S
Molecular Weight471.38 g/mol
Exact Mass470.06
IUPAC Name(5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccccc3Br)CC2)C1=O
InChIInChI=1S/C18H23BrN4O4S/c1-18(13-6-7-13)16(24)23(17(25)20-18)12-21-8-10-22(11-9-21)28(26,27)15-5-3-2-4-14(15)19/h2-5,13H,6-12H2,1H3,(H,20,25)/t18-/m1/s1
InChIKeyQJJHMQXVKXIPJW-GOSISDBHSA-N
XLogP1.43
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.38
LogP ≤ 51.43
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

(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 31325392
(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9235504
(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 34647547
(5S)-5-cyclopropyl-3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 31325374
(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-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388
N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 155560182
3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542042
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46567158
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
1-(2-bromophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 9289045

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 31325239) is (5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccccc3Br)CC2)C1=O.
What is the InChIKey of (5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is QJJHMQXVKXIPJW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23BrN4O4S/c1-18(13-6-7-13)16(24)23(17(25)20-18)12-21-8-10-22(11-9-21)28(26,27)15-5-3-2-4-14(15)19/h2-5,13H,6-12H2,1H3,(H,20,25)/t18-/m1/s1.
What are the key properties of (5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
(5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 471.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 31325239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).