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

C17H26N2O4S — CID 86981327

IUPAC4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H26N2O4S/c1-13(2)18(5)24(21,22)15-8-6-14(7-9-15)16(20)19-10-11-23-17(3,4)12-19/h6-9,13H,10-12H2,1-5H3
InChIKeyGMVSOOLZRNHLBY-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.97
Rot. Bonds4

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

4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 86981327) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID86981327
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H26N2O4S/c1-13(2)18(5)24(21,22)15-8-6-14(7-9-15)16(20)19-10-11-23-17(3,4)12-19/h6-9,13H,10-12H2,1-5H3
InChIKeyGMVSOOLZRNHLBY-UHFFFAOYSA-N
XLogP1.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 86981341
N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119982357
(3S,4S)-4-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-3-carboxylic acid
CID 120953581
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430913
1-[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]imidazolidin-2-one
CID 86981324
(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 86991463
N-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119493599
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
CID 78869425
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113329851

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 86981327) is 4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1.
What is the InChIKey of 4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GMVSOOLZRNHLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(2)18(5)24(21,22)15-8-6-14(7-9-15)16(20)19-10-11-23-17(3,4)12-19/h6-9,13H,10-12H2,1-5H3.
What are the key properties of 4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide?
4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 86981327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).