2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid

C9H15N3O4S — CID 79806947

IUPAC2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid
SMILESCCC(CC)(NS(=O)(=O)c1cnc[nH]1)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-3-9(4-2,8(13)14)12-17(15,16)7-5-10-6-11-7/h5-6,12H,3-4H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyWIWAGPDGICOZFX-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.33
Rot. Bonds6

About 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid

2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid (PubChem CID 79806947) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid
PubChem CID79806947
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid
SMILESCCC(CC)(NS(=O)(=O)c1cnc[nH]1)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-3-9(4-2,8(13)14)12-17(15,16)7-5-10-6-11-7/h5-6,12H,3-4H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyWIWAGPDGICOZFX-UHFFFAOYSA-N
XLogP0.33
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 115640418
N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
CID 64994110
N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide
CID 106251055
3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide
CID 103824162
2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid
CID 66167517
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide
CID 75388292
2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79807174
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide
CID 103835702
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
2-(1H-imidazol-5-ylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786144
tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate
CID 81005469
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid (CID 79806947) is 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid is CCC(CC)(NS(=O)(=O)c1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid?
The InChIKey is WIWAGPDGICOZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-9(4-2,8(13)14)12-17(15,16)7-5-10-6-11-7/h5-6,12H,3-4H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid?
2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 79806947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).