5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide

C15H22N2O4S — CID 86977784

IUPAC5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CC(C)OC(C)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H22N2O4S/c1-9-5-13(6-14(12(9)4)22(16,19)20)15(18)17-7-10(2)21-11(3)8-17/h5-6,10-11H,7-8H2,1-4H3,(H2,16,19,20)
InChIKeyMTBIEMCJSIEJHO-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.20
Rot. Bonds2

About 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide

5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 86977784) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide
PubChem CID86977784
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CC(C)OC(C)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H22N2O4S/c1-9-5-13(6-14(12(9)4)22(16,19)20)15(18)17-7-10(2)21-11(3)8-17/h5-6,10-11H,7-8H2,1-4H3,(H2,16,19,20)
InChIKeyMTBIEMCJSIEJHO-UHFFFAOYSA-N
XLogP1.20
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 119638653
4-(3,4-dimethyl-5-sulfamoylbenzoyl)morpholine-2-carboxylic acid
CID 119239894
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 120749760
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211
(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 60862183
1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122114271
N,N,2,3-tetramethyl-5-[(2R)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 42000467
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
3-fluoro-2-methyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388971
5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119647652

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide (CID 86977784) is 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(C(=O)N2CC(C)OC(C)C2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is MTBIEMCJSIEJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-9-5-13(6-14(12(9)4)22(16,19)20)15(18)17-7-10(2)21-11(3)8-17/h5-6,10-11H,7-8H2,1-4H3,(H2,16,19,20).
What are the key properties of 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide?
5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 86977784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).