(4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride

C5H11Cl2N2O4S- — CID 87350569

IUPAC(4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride
SMILESCC1(CS(=O)(=O)O)CNC(=O)[NH2+]1.[Cl-].[Cl-]
InChIInChI=1S/C5H10N2O4S.2ClH/c1-5(3-12(9,10)11)2-6-4(8)7-5;;/h2-3H2,1H3,(H2,6,7,8)(H,9,10,11);2*1H/p-1
InChIKeyGQMCWFFFCCCLSQ-UHFFFAOYSA-M
MW266.13 g/mol
LogP-8.07
Rot. Bonds2

About (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride

(4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride (PubChem CID 87350569) has the molecular formula C5H11Cl2N2O4S- and a molecular weight of 266.13 g/mol. Its IUPAC name is (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride.

Molecular Properties

Compound Name(4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride
PubChem CID87350569
Molecular FormulaC5H11Cl2N2O4S-
Molecular Weight266.13 g/mol
Exact Mass264.98
IUPAC Name(4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride
SMILESCC1(CS(=O)(=O)O)CNC(=O)[NH2+]1.[Cl-].[Cl-]
InChIInChI=1S/C5H10N2O4S.2ClH/c1-5(3-12(9,10)11)2-6-4(8)7-5;;/h2-3H2,1H3,(H2,6,7,8)(H,9,10,11);2*1H/p-1
InChIKeyGQMCWFFFCCCLSQ-UHFFFAOYSA-M
XLogP-8.07
TPSA100.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 5-8.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride?
The IUPAC name of (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride (CID 87350569) is (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride.
What is the SMILES notation for (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride?
The canonical SMILES for (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride is CC1(CS(=O)(=O)O)CNC(=O)[NH2+]1.[Cl-].[Cl-].
What is the InChIKey of (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride?
The InChIKey is GQMCWFFFCCCLSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N2O4S.2ClH/c1-5(3-12(9,10)11)2-6-4(8)7-5;;/h2-3H2,1H3,(H2,6,7,8)(H,9,10,11);2*1H/p-1.
What are the key properties of (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride?
(4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride has a molecular weight of 266.13 g/mol, XLogP of -8.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxoimidazolidin-3-ium-4-yl)methanesulfonic acid dichloride is sourced from PubChem (CID 87350569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).