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

C5H7ClN2O4S — CID 16738713

IUPAC[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
SMILESC[C@]1(CS(=O)(=O)Cl)NC(=O)NC1=O
InChIInChI=1S/C5H7ClN2O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,7,8,9,10)/t5-/m1/s1
InChIKeyGXBXYLVXNQXXNV-RXMQYKEDSA-N
MW226.64 g/mol
LogP-0.85
Rot. Bonds2

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

[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride (PubChem CID 16738713) has the molecular formula C5H7ClN2O4S and a molecular weight of 226.64 g/mol. Its IUPAC name is [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
PubChem CID16738713
Molecular FormulaC5H7ClN2O4S
Molecular Weight226.64 g/mol
Exact Mass225.98
IUPAC Name[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
SMILESC[C@]1(CS(=O)(=O)Cl)NC(=O)NC1=O
InChIInChI=1S/C5H7ClN2O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,7,8,9,10)/t5-/m1/s1
InChIKeyGXBXYLVXNQXXNV-RXMQYKEDSA-N
XLogP-0.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 5-0.85
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-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The IUPAC name of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride (CID 16738713) is [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The canonical SMILES for [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride is C[C@]1(CS(=O)(=O)Cl)NC(=O)NC1=O.
What is the InChIKey of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The InChIKey is GXBXYLVXNQXXNV-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H7ClN2O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,7,8,9,10)/t5-/m1/s1.
What are the key properties of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride has a molecular weight of 226.64 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 16738713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).