1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride

C8H12ClN3O3S — CID 82911637

IUPAC1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C
InChIInChI=1S/C8H12ClN3O3S/c1-3-10-7(13)4-12-5-8(11-6(12)2)16(9,14)15/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyZGOREYXGBGJQPW-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.26
Rot. Bonds4

About 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride

1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride (PubChem CID 82911637) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
PubChem CID82911637
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C
InChIInChI=1S/C8H12ClN3O3S/c1-3-10-7(13)4-12-5-8(11-6(12)2)16(9,14)15/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyZGOREYXGBGJQPW-UHFFFAOYSA-N
XLogP0.26
TPSA81.06 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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride (CID 82911637) is 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride is CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C.
What is the InChIKey of 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride?
The InChIKey is ZGOREYXGBGJQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c1-3-10-7(13)4-12-5-8(11-6(12)2)16(9,14)15/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride?
1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride has a molecular weight of 265.72 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).