3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride

C6H9ClN2O4S — CID 11736606

IUPAC3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride
SMILESCCS(=O)(=O)N1CCN(C(=O)Cl)C1=O
InChIInChI=1S/C6H9ClN2O4S/c1-2-14(12,13)9-4-3-8(5(7)10)6(9)11/h2-4H2,1H3
InChIKeyLCZCFZFVIVTSBY-UHFFFAOYSA-N
MW240.67 g/mol
LogP0.43
Rot. Bonds2

About 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride

3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride (PubChem CID 11736606) has the molecular formula C6H9ClN2O4S and a molecular weight of 240.67 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride
PubChem CID11736606
Molecular FormulaC6H9ClN2O4S
Molecular Weight240.67 g/mol
Exact Mass240.00
IUPAC Name3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride
SMILESCCS(=O)(=O)N1CCN(C(=O)Cl)C1=O
InChIInChI=1S/C6H9ClN2O4S/c1-2-14(12,13)9-4-3-8(5(7)10)6(9)11/h2-4H2,1H3
InChIKeyLCZCFZFVIVTSBY-UHFFFAOYSA-N
XLogP0.43
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride?
The IUPAC name of 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride (CID 11736606) is 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride.
What is the SMILES notation for 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride?
The canonical SMILES for 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride is CCS(=O)(=O)N1CCN(C(=O)Cl)C1=O.
What is the InChIKey of 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride?
The InChIKey is LCZCFZFVIVTSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O4S/c1-2-14(12,13)9-4-3-8(5(7)10)6(9)11/h2-4H2,1H3.
What are the key properties of 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride?
3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride has a molecular weight of 240.67 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride is sourced from PubChem (CID 11736606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).