2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid

C10H17N3O4S — CID 146090786

IUPAC2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1cnc(C(C)C)[nH]1
InChIInChI=1S/C10H17N3O4S/c1-4-13(6-9(14)15)18(16,17)8-5-11-10(12-8)7(2)3/h5,7H,4,6H2,1-3H3,(H,11,12)(H,14,15)
InChIKeyOPSIJHZMHRFXGG-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.63
Rot. Bonds6

About 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid

2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid (PubChem CID 146090786) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid
PubChem CID146090786
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1cnc(C(C)C)[nH]1
InChIInChI=1S/C10H17N3O4S/c1-4-13(6-9(14)15)18(16,17)8-5-11-10(12-8)7(2)3/h5,7H,4,6H2,1-3H3,(H,11,12)(H,14,15)
InChIKeyOPSIJHZMHRFXGG-UHFFFAOYSA-N
XLogP0.63
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 124569932
2-propan-2-yl-1H-imidazole-5-sulfonic acid
CID 19864190
N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
CID 79470009
N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
CID 79470177
N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide
CID 102995745
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
2-phenyl-2-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]acetamide
CID 56807002
2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid
CID 103862547
N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 71982183
(2S)-2-[4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperazin-1-yl]butan-1-ol
CID 97239556
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]acetic acid
CID 54900564
2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid (CID 146090786) is 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid is CCN(CC(=O)O)S(=O)(=O)c1cnc(C(C)C)[nH]1.
What is the InChIKey of 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid?
The InChIKey is OPSIJHZMHRFXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-4-13(6-9(14)15)18(16,17)8-5-11-10(12-8)7(2)3/h5,7H,4,6H2,1-3H3,(H,11,12)(H,14,15).
What are the key properties of 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid?
2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid has a molecular weight of 275.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 146090786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).