5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide

C8H16N4O3S — CID 63978509

IUPAC5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O3S/c1-11-6-10-7(9)8(11)16(13,14)12(2)4-5-15-3/h6H,4-5,9H2,1-3H3
InChIKeyWEZYGZULZYMMHQ-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.73
Rot. Bonds5

About 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide

5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide (PubChem CID 63978509) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide
PubChem CID63978509
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O3S/c1-11-6-10-7(9)8(11)16(13,14)12(2)4-5-15-3/h6H,4-5,9H2,1-3H3
InChIKeyWEZYGZULZYMMHQ-UHFFFAOYSA-N
XLogP-0.73
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide (CID 63978509) is 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide is COCCN(C)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide?
The InChIKey is WEZYGZULZYMMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-11-6-10-7(9)8(11)16(13,14)12(2)4-5-15-3/h6H,4-5,9H2,1-3H3.
What are the key properties of 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide?
5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 63978509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).