2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid

C7H11ClN2O5S — CID 46206905

IUPAC2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid
SMILESCC1(C)C(=O)N(CCS(=O)(=O)O)C(=O)N1Cl
InChIInChI=1S/C7H11ClN2O5S/c1-7(2)5(11)9(6(12)10(7)8)3-4-16(13,14)15/h3-4H2,1-2H3,(H,13,14,15)
InChIKeyHZAPPJUSUPNMOQ-UHFFFAOYSA-N
MW270.69 g/mol
LogP0.07
Rot. Bonds3

About 2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid

2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid (PubChem CID 46206905) has the molecular formula C7H11ClN2O5S and a molecular weight of 270.69 g/mol. Its IUPAC name is 2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid.

Molecular Properties

Compound Name2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid
PubChem CID46206905
Molecular FormulaC7H11ClN2O5S
Molecular Weight270.69 g/mol
Exact Mass270.01
IUPAC Name2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid
SMILESCC1(C)C(=O)N(CCS(=O)(=O)O)C(=O)N1Cl
InChIInChI=1S/C7H11ClN2O5S/c1-7(2)5(11)9(6(12)10(7)8)3-4-16(13,14)15/h3-4H2,1-2H3,(H,13,14,15)
InChIKeyHZAPPJUSUPNMOQ-UHFFFAOYSA-N
XLogP0.07
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid?
The IUPAC name of 2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid (CID 46206905) is 2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid.
What is the SMILES notation for 2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid?
The canonical SMILES for 2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid is CC1(C)C(=O)N(CCS(=O)(=O)O)C(=O)N1Cl.
What is the InChIKey of 2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid?
The InChIKey is HZAPPJUSUPNMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O5S/c1-7(2)5(11)9(6(12)10(7)8)3-4-16(13,14)15/h3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid?
2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid has a molecular weight of 270.69 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonic acid is sourced from PubChem (CID 46206905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).