(5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione

C14H18N4O4S — CID 66850677

IUPAC(5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CS(=O)(=O)N2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C14H18N4O4S/c19-13-12(15-14(20)16-13)10-23(21,22)18-8-6-17(7-9-18)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,16,19,20)/t12-/m0/s1
InChIKeyWLTILYXLAGUMGI-LBPRGKRZSA-N
MW338.39 g/mol
LogP-0.65
Rot. Bonds4

About (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione

(5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 66850677) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID66850677
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name(5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CS(=O)(=O)N2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C14H18N4O4S/c19-13-12(15-14(20)16-13)10-23(21,22)18-8-6-17(7-9-18)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,16,19,20)/t12-/m0/s1
InChIKeyWLTILYXLAGUMGI-LBPRGKRZSA-N
XLogP-0.65
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
1-phenyl-4-pyrrolidin-3-ylsulfonylpiperazine
CID 65421339
1-[2-(oxolan-3-yloxy)ethylsulfonyl]-4-phenylpiperazine
CID 146149120
1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 27377683
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
1-(1-adamantylsulfonyl)-4-phenylpiperazine
CID 4918905
(5S)-5-(methylsulfonylmethyl)imidazolidine-2,4-dione
CID 59794401
5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione
CID 70596915
3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 106821036
1-(4-fluorophenyl)-4-(4-phenylbut-3-ynylsulfonyl)piperazine
CID 141149155
5-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 70736756
3-(4-benzylsulfonylpiperazin-1-yl)phenol
CID 75402119

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione (CID 66850677) is (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](CS(=O)(=O)N2CCN(c3ccccc3)CC2)N1.
What is the InChIKey of (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is WLTILYXLAGUMGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O4S/c19-13-12(15-14(20)16-13)10-23(21,22)18-8-6-17(7-9-18)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,16,19,20)/t12-/m0/s1.
What are the key properties of (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
(5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 338.39 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-phenylpiperazin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 66850677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).