1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride

C8H12ClN3O3S — CID 82911046

IUPAC1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc(S(=O)(=O)Cl)cn1CC(N)=O
InChIInChI=1S/C8H12ClN3O3S/c1-5(2)8-11-7(16(9,14)15)4-12(8)3-6(10)13/h4-5H,3H2,1-2H3,(H2,10,13)
InChIKeyZSXCFFLOHJPDGR-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.42
Rot. Bonds4

About 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride

1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride (PubChem CID 82911046) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride
PubChem CID82911046
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc(S(=O)(=O)Cl)cn1CC(N)=O
InChIInChI=1S/C8H12ClN3O3S/c1-5(2)8-11-7(16(9,14)15)4-12(8)3-6(10)13/h4-5H,3H2,1-2H3,(H2,10,13)
InChIKeyZSXCFFLOHJPDGR-UHFFFAOYSA-N
XLogP0.42
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride (CID 82911046) is 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride is CC(C)c1nc(S(=O)(=O)Cl)cn1CC(N)=O.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride?
The InChIKey is ZSXCFFLOHJPDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c1-5(2)8-11-7(16(9,14)15)4-12(8)3-6(10)13/h4-5H,3H2,1-2H3,(H2,10,13).
What are the key properties of 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride?
1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride has a molecular weight of 265.72 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-2-propan-2-ylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).