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

C6H9ClN2O4S — CID 55280267

IUPAC[(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
SMILESCC[C@]1(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)/t6-/m1/s1
InChIKeyZKILJBXPYLTXTM-ZCFIWIBFSA-N
MW240.67 g/mol
LogP-0.46
Rot. Bonds3

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

[(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride (PubChem CID 55280267) has the molecular formula C6H9ClN2O4S and a molecular weight of 240.67 g/mol. Its IUPAC name is [(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
PubChem CID55280267
Molecular FormulaC6H9ClN2O4S
Molecular Weight240.67 g/mol
Exact Mass240.00
IUPAC Name[(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
SMILESCC[C@]1(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)/t6-/m1/s1
InChIKeyZKILJBXPYLTXTM-ZCFIWIBFSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The IUPAC name of [(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride (CID 55280267) is [(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The canonical SMILES for [(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride is CC[C@]1(CS(=O)(=O)Cl)NC(=O)NC1=O.
What is the InChIKey of [(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The InChIKey is ZKILJBXPYLTXTM-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of [(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
[(4S)-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 [(4S)-4-ethyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 55280267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).