4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide

C16H24N2O4S — CID 86981341

IUPAC4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)17-23(20,21)14-7-5-13(6-8-14)15(19)18-9-10-22-16(3,4)11-18/h5-8,12,17H,9-11H2,1-4H3
InChIKeyQHEAYFRLTGABGB-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.62
Rot. Bonds4

About 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide

4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 86981341) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID86981341
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)17-23(20,21)14-7-5-13(6-8-14)15(19)18-9-10-22-16(3,4)11-18/h5-8,12,17H,9-11H2,1-4H3
InChIKeyQHEAYFRLTGABGB-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide 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

4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 86981327
3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
CID 78869425
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119417843
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315
(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430913

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 86981341) is 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1.
What is the InChIKey of 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QHEAYFRLTGABGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)17-23(20,21)14-7-5-13(6-8-14)15(19)18-9-10-22-16(3,4)11-18/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide?
4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 86981341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).