2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C17H28N2O3S — CID 2178782

IUPAC2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCCN2CCOCC2)c1C
InChIInChI=1S/C17H28N2O3S/c1-13-12-14(2)16(4)17(15(13)3)23(20,21)18-6-5-7-19-8-10-22-11-9-19/h12,18H,5-11H2,1-4H3
InChIKeyRPDBFUVBHIJHGS-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.92
Rot. Bonds6

About 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2178782) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2178782
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCCN2CCOCC2)c1C
InChIInChI=1S/C17H28N2O3S/c1-13-12-14(2)16(4)17(15(13)3)23(20,21)18-6-5-7-19-8-10-22-11-9-19/h12,18H,5-11H2,1-4H3
InChIKeyRPDBFUVBHIJHGS-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide 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

3,4-dimethyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 646290
4-[(2,4,5-Trimethylphenyl)sulfonyl]morpholine
CID 802296
2,3,4-trimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 832222
3,4-dimethyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2273146
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 2480420
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 1587720
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2098658
2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 2179620
2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242498
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2104277
4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3243079

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2178782) is 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCCCN2CCOCC2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is RPDBFUVBHIJHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-13-12-14(2)16(4)17(15(13)3)23(20,21)18-6-5-7-19-8-10-22-11-9-19/h12,18H,5-11H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2178782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).