1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione

C15H25N5O6S — CID 43067161

IUPAC1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCC1CN(S(=O)(=O)N2CCN(CN3C(=O)C(=O)N(C)C3=O)CC2)CC(C)O1
InChIInChI=1S/C15H25N5O6S/c1-11-8-19(9-12(2)26-11)27(24,25)18-6-4-17(5-7-18)10-20-14(22)13(21)16(3)15(20)23/h11-12H,4-10H2,1-3H3
InChIKeyAOLHYFDFDIXZFT-UHFFFAOYSA-N
MW403.46 g/mol
LogP-1.66
Rot. Bonds4

About 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione

1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 43067161) has the molecular formula C15H25N5O6S and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID43067161
Molecular FormulaC15H25N5O6S
Molecular Weight403.46 g/mol
Exact Mass403.15
IUPAC Name1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCC1CN(S(=O)(=O)N2CCN(CN3C(=O)C(=O)N(C)C3=O)CC2)CC(C)O1
InChIInChI=1S/C15H25N5O6S/c1-11-8-19(9-12(2)26-11)27(24,25)18-6-4-17(5-7-18)10-20-14(22)13(21)16(3)15(20)23/h11-12H,4-10H2,1-3H3
InChIKeyAOLHYFDFDIXZFT-UHFFFAOYSA-N
XLogP-1.66
TPSA110.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione (CID 43067161) is 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione is CC1CN(S(=O)(=O)N2CCN(CN3C(=O)C(=O)N(C)C3=O)CC2)CC(C)O1.
What is the InChIKey of 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is AOLHYFDFDIXZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O6S/c1-11-8-19(9-12(2)26-11)27(24,25)18-6-4-17(5-7-18)10-20-14(22)13(21)16(3)15(20)23/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione?
1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 403.46 g/mol, XLogP of -1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 43067161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).