(4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride

C6H9ClN2O4S — CID 55280268

IUPAC(4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride
SMILESCCC1(CS(=O)(=O)Cl)NC(=O)NC1=O
InChIInChI=1S/C6H9ClN2O4S/c1-2-6(3-14(7,12)13)4(10)8-5(11)9-6/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyZKILJBXPYLTXTM-UHFFFAOYSA-N
MW240.67 g/mol
LogP-0.46
Rot. Bonds3

About (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride

(4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride (PubChem CID 55280268) has the molecular formula C6H9ClN2O4S and a molecular weight of 240.67 g/mol. Its IUPAC name is (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride
PubChem CID55280268
Molecular FormulaC6H9ClN2O4S
Molecular Weight240.67 g/mol
Exact Mass240.00
IUPAC Name(4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride
SMILESCCC1(CS(=O)(=O)Cl)NC(=O)NC1=O
InChIInChI=1S/C6H9ClN2O4S/c1-2-6(3-14(7,12)13)4(10)8-5(11)9-6/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyZKILJBXPYLTXTM-UHFFFAOYSA-N
XLogP-0.46
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride?
The IUPAC name of (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride (CID 55280268) is (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride?
The canonical SMILES for (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride is CCC1(CS(=O)(=O)Cl)NC(=O)NC1=O.
What is the InChIKey of (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride?
The InChIKey is ZKILJBXPYLTXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O4S/c1-2-6(3-14(7,12)13)4(10)8-5(11)9-6/h2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride?
(4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride has a molecular weight of 240.67 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 55280268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).