1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride

C7H10ClN3O3S — CID 82912457

IUPAC1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride
SMILESCC(Cn1cnc(S(=O)(=O)Cl)c1)C(N)=O
InChIInChI=1S/C7H10ClN3O3S/c1-5(7(9)12)2-11-3-6(10-4-11)15(8,13)14/h3-5H,2H2,1H3,(H2,9,12)
InChIKeyVICGCGCYHMIKIX-UHFFFAOYSA-N
MW251.69 g/mol
LogP-0.07
Rot. Bonds4

About 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride

1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride (PubChem CID 82912457) has the molecular formula C7H10ClN3O3S and a molecular weight of 251.69 g/mol. Its IUPAC name is 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride
PubChem CID82912457
Molecular FormulaC7H10ClN3O3S
Molecular Weight251.69 g/mol
Exact Mass251.01
IUPAC Name1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride
SMILESCC(Cn1cnc(S(=O)(=O)Cl)c1)C(N)=O
InChIInChI=1S/C7H10ClN3O3S/c1-5(7(9)12)2-11-3-6(10-4-11)15(8,13)14/h3-5H,2H2,1H3,(H2,9,12)
InChIKeyVICGCGCYHMIKIX-UHFFFAOYSA-N
XLogP-0.07
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride (CID 82912457) is 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride is CC(Cn1cnc(S(=O)(=O)Cl)c1)C(N)=O.
What is the InChIKey of 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride?
The InChIKey is VICGCGCYHMIKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3S/c1-5(7(9)12)2-11-3-6(10-4-11)15(8,13)14/h3-5H,2H2,1H3,(H2,9,12).
What are the key properties of 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride?
1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride has a molecular weight of 251.69 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82912457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).