1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone

C15H21N3O4S — CID 747981

IUPAC1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H21N3O4S/c19-15(12-16-8-10-22-11-9-16)17-6-7-18(13-17)23(20,21)14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyQAXBAVPFXQUSCT-UHFFFAOYSA-N
MW339.42 g/mol
LogP-0.19
Rot. Bonds4

About 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone

1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 747981) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID747981
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H21N3O4S/c19-15(12-16-8-10-22-11-9-16)17-6-7-18(13-17)23(20,21)14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyQAXBAVPFXQUSCT-UHFFFAOYSA-N
XLogP-0.19
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone 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-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone (CID 747981) is 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is QAXBAVPFXQUSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c19-15(12-16-8-10-22-11-9-16)17-6-7-18(13-17)23(20,21)14-4-2-1-3-5-14/h1-5H,6-13H2.
What are the key properties of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 339.42 g/mol, XLogP of -0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 747981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).