2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid

C7H12N2O5S — CID 59355171

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid
SMILESCC1(C)NC(=O)N(CCS(=O)(=O)O)C1=O
InChIInChI=1S/C7H12N2O5S/c1-7(2)5(10)9(6(11)8-7)3-4-15(12,13)14/h3-4H2,1-2H3,(H,8,11)(H,12,13,14)
InChIKeyNDPAUCPZFHBYBY-UHFFFAOYSA-N
MW236.25 g/mol
LogP-0.80
Rot. Bonds3

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid (PubChem CID 59355171) has the molecular formula C7H12N2O5S and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid
PubChem CID59355171
Molecular FormulaC7H12N2O5S
Molecular Weight236.25 g/mol
Exact Mass236.05
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid
SMILESCC1(C)NC(=O)N(CCS(=O)(=O)O)C1=O
InChIInChI=1S/C7H12N2O5S/c1-7(2)5(10)9(6(11)8-7)3-4-15(12,13)14/h3-4H2,1-2H3,(H,8,11)(H,12,13,14)
InChIKeyNDPAUCPZFHBYBY-UHFFFAOYSA-N
XLogP-0.80
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid (CID 59355171) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid is CC1(C)NC(=O)N(CCS(=O)(=O)O)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid?
The InChIKey is NDPAUCPZFHBYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5S/c1-7(2)5(10)9(6(11)8-7)3-4-15(12,13)14/h3-4H2,1-2H3,(H,8,11)(H,12,13,14).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid has a molecular weight of 236.25 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid is sourced from PubChem (CID 59355171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).