N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide

C9H18N4O2S — CID 62061368

IUPACN-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide
SMILESCCN(CCN)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C9H18N4O2S/c1-4-13(6-5-10)16(14,15)9-7-12(3)8(2)11-9/h7H,4-6,10H2,1-3H3
InChIKeyDGNKOJJOAOIIBM-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.30
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide

N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 62061368) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide
PubChem CID62061368
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide
SMILESCCN(CCN)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C9H18N4O2S/c1-4-13(6-5-10)16(14,15)9-7-12(3)8(2)11-9/h7H,4-6,10H2,1-3H3
InChIKeyDGNKOJJOAOIIBM-UHFFFAOYSA-N
XLogP-0.30
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 79387609
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 55171323
N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 107493921
N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62061893
3-[ethyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62066618
N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 64591736
2-[carboxymethyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 63646589
N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062589
N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 61349508
N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062274
3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 76933286
N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide
CID 66215276

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide (CID 62061368) is N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide is CCN(CCN)S(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is DGNKOJJOAOIIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-4-13(6-5-10)16(14,15)9-7-12(3)8(2)11-9/h7H,4-6,10H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide?
N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62061368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).