N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide

C10H20N4O3S — CID 103080924

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCOCCN(C)C)[nH]1
InChIInChI=1S/C10H20N4O3S/c1-9-11-8-10(13-9)18(15,16)12-4-6-17-7-5-14(2)3/h8,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyXXNSGTBWNWKXPY-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.43
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 103080924) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID103080924
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCOCCN(C)C)[nH]1
InChIInChI=1S/C10H20N4O3S/c1-9-11-8-10(13-9)18(15,16)12-4-6-17-7-5-14(2)3/h8,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyXXNSGTBWNWKXPY-UHFFFAOYSA-N
XLogP-0.43
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide 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

N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
CID 115897720
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide
CID 114127258
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508
N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide
CID 77036688
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 75455806
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 103080924) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCOCCN(C)C)[nH]1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is XXNSGTBWNWKXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-9-11-8-10(13-9)18(15,16)12-4-6-17-7-5-14(2)3/h8,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103080924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).