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

C5H7N2O4S- — CID 58097392

IUPAC[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate
SMILESC[C@]1(CS(=O)[O-])NC(=O)NC1=O
InChIInChI=1S/C5H8N2O4S/c1-5(2-12(10)11)3(8)6-4(9)7-5/h2H2,1H3,(H,10,11)(H2,6,7,8,9)/p-1/t5-/m1/s1
InChIKeyXTWCXDYRXCDABZ-RXMQYKEDSA-M
MW191.19 g/mol
LogP-1.54
Rot. Bonds2

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

[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate (PubChem CID 58097392) has the molecular formula C5H7N2O4S- and a molecular weight of 191.19 g/mol. Its IUPAC name is [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate.

Molecular Properties

Compound Name[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate
PubChem CID58097392
Molecular FormulaC5H7N2O4S-
Molecular Weight191.19 g/mol
Exact Mass191.01
IUPAC Name[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate
SMILESC[C@]1(CS(=O)[O-])NC(=O)NC1=O
InChIInChI=1S/C5H8N2O4S/c1-5(2-12(10)11)3(8)6-4(9)7-5/h2H2,1H3,(H,10,11)(H2,6,7,8,9)/p-1/t5-/m1/s1
InChIKeyXTWCXDYRXCDABZ-RXMQYKEDSA-M
XLogP-1.54
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate?
The IUPAC name of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate (CID 58097392) is [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate.
What is the SMILES notation for [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate?
The canonical SMILES for [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate is C[C@]1(CS(=O)[O-])NC(=O)NC1=O.
What is the InChIKey of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate?
The InChIKey is XTWCXDYRXCDABZ-RXMQYKEDSA-M. The full InChI is InChI=1S/C5H8N2O4S/c1-5(2-12(10)11)3(8)6-4(9)7-5/h2H2,1H3,(H,10,11)(H2,6,7,8,9)/p-1/t5-/m1/s1.
What are the key properties of [(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate?
[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfinate has a molecular weight of 191.19 g/mol, XLogP of -1.54, 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]methanesulfinate is sourced from PubChem (CID 58097392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).