2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride

C12H18ClN3O3S — CID 82913177

IUPAC2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCCCC1
InChIInChI=1S/C12H18ClN3O3S/c1-2-10-14-11(20(13,18)19)8-16(10)9-12(17)15-6-4-3-5-7-15/h8H,2-7,9H2,1H3
InChIKeyDOWBGVOAWSMLDT-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.39
Rot. Bonds4

About 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride

2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride (PubChem CID 82913177) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride
PubChem CID82913177
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCCCC1
InChIInChI=1S/C12H18ClN3O3S/c1-2-10-14-11(20(13,18)19)8-16(10)9-12(17)15-6-4-3-5-7-15/h8H,2-7,9H2,1H3
InChIKeyDOWBGVOAWSMLDT-UHFFFAOYSA-N
XLogP1.39
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride (CID 82913177) is 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCCCC1.
What is the InChIKey of 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride?
The InChIKey is DOWBGVOAWSMLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-2-10-14-11(20(13,18)19)8-16(10)9-12(17)15-6-4-3-5-7-15/h8H,2-7,9H2,1H3.
What are the key properties of 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride?
2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride has a molecular weight of 319.81 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82913177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).