3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride

C5H7ClN2O4S — CID 3016299

IUPAC3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride
SMILESCS(=O)(=O)N1CCN(C(=O)Cl)C1=O
InChIInChI=1S/C5H7ClN2O4S/c1-13(11,12)8-3-2-7(4(6)9)5(8)10/h2-3H2,1H3
InChIKeyZWTPALHHEULAPI-UHFFFAOYSA-N
MW226.64 g/mol
LogP0.04
Rot. Bonds1

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

3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride (PubChem CID 3016299) has the molecular formula C5H7ClN2O4S and a molecular weight of 226.64 g/mol. Its IUPAC name is 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride
PubChem CID3016299
Molecular FormulaC5H7ClN2O4S
Molecular Weight226.64 g/mol
Exact Mass225.98
IUPAC Name3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride
SMILESCS(=O)(=O)N1CCN(C(=O)Cl)C1=O
InChIInChI=1S/C5H7ClN2O4S/c1-13(11,12)8-3-2-7(4(6)9)5(8)10/h2-3H2,1H3
InChIKeyZWTPALHHEULAPI-UHFFFAOYSA-N
XLogP0.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 50.04
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-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride?
The IUPAC name of 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride (CID 3016299) is 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride.
What is the SMILES notation for 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride?
The canonical SMILES for 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride is CS(=O)(=O)N1CCN(C(=O)Cl)C1=O.
What is the InChIKey of 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride?
The InChIKey is ZWTPALHHEULAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O4S/c1-13(11,12)8-3-2-7(4(6)9)5(8)10/h2-3H2,1H3.
What are the key properties of 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride?
3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride has a molecular weight of 226.64 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride is sourced from PubChem (CID 3016299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).