N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide

C12H23N3O3S — CID 91923947

IUPACN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ncc(C)n1CCOC
InChIInChI=1S/C12H23N3O3S/c1-4-9-19(16,17)14-6-5-12-13-10-11(2)15(12)7-8-18-3/h10,14H,4-9H2,1-3H3
InChIKeyFHMRVXHNYAMABW-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.71
Rot. Bonds9

About N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide

N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide (PubChem CID 91923947) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide
PubChem CID91923947
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ncc(C)n1CCOC
InChIInChI=1S/C12H23N3O3S/c1-4-9-19(16,17)14-6-5-12-13-10-11(2)15(12)7-8-18-3/h10,14H,4-9H2,1-3H3
InChIKeyFHMRVXHNYAMABW-UHFFFAOYSA-N
XLogP0.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide (CID 91923947) is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1ncc(C)n1CCOC.
What is the InChIKey of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide?
The InChIKey is FHMRVXHNYAMABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-4-9-19(16,17)14-6-5-12-13-10-11(2)15(12)7-8-18-3/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide?
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 0.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 91923947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).