3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide

C16H26N2O3S — CID 4798669

IUPAC3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1C
InChIInChI=1S/C16H26N2O3S/c1-13-5-6-15(11-14(13)2)22(19,20)17-12-16(3,4)18-7-9-21-10-8-18/h5-6,11,17H,7-10,12H2,1-4H3
InChIKeyNTICIJYHPIAQPI-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.69
Rot. Bonds5

About 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide

3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 4798669) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID4798669
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1C
InChIInChI=1S/C16H26N2O3S/c1-13-5-6-15(11-14(13)2)22(19,20)17-12-16(3,4)18-7-9-21-10-8-18/h5-6,11,17H,7-10,12H2,1-4H3
InChIKeyNTICIJYHPIAQPI-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
CID 51169466
N-[2-methoxy-5-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]phenyl]acetamide
CID 8797558
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
1-acetyl-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 55509064
4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid
CID 45412722
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide
CID 61072491
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504851
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethylbenzenesulfonamide
CID 110291564
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110292787

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide (CID 4798669) is 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is NTICIJYHPIAQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-5-6-15(11-14(13)2)22(19,20)17-12-16(3,4)18-7-9-21-10-8-18/h5-6,11,17H,7-10,12H2,1-4H3.
What are the key properties of 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide?
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 4798669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).