N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide

C11H22N4O3S — CID 55171323

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C11H22N4O3S/c1-10-13-11(9-14(10)2)19(16,17)15(6-4-5-12)7-8-18-3/h9H,4-8,12H2,1-3H3
InChIKeyHOFJOPRDUUHXNE-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.29
Rot. Bonds8

About N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide

N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 55171323) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID55171323
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C11H22N4O3S/c1-10-13-11(9-14(10)2)19(16,17)15(6-4-5-12)7-8-18-3/h9H,4-8,12H2,1-3H3
InChIKeyHOFJOPRDUUHXNE-UHFFFAOYSA-N
XLogP-0.29
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide (CID 55171323) is N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide is COCCN(CCCN)S(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is HOFJOPRDUUHXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-10-13-11(9-14(10)2)19(16,17)15(6-4-5-12)7-8-18-3/h9H,4-8,12H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of -0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 55171323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).