1-(Methylsulfonyl)-2-imidazolidinone

C4H8N2O3SCAS 41730-79-4164.18 g/mol

Open in Covalent MOL file
SOONNHO
Sulfonamide

Properties

Molecular formula
C4H8N2O3S
Molar mass
164.18 g/mol
Exact mass
164.0256 Da
Melting point
192–194 °C
logP
-0.82Crippen estimate
Polar surface area
70.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
41730-79-4
SMILES
CS(=O)(=O)N1CCN=C1O
InChIKey
WTCUHYRXLIHSLY-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O3S/c1-10(8,9)6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Imidazolidinone, 1-(methylsulfonyl)-
  • 1-(Methylsulfonyl)-2-imidazolidin-2-one
  • 1-Mesyl-2-imidazolidinone
  • 1-Methanesulfonylimidazolidin-2-one
  • 1-(Methylsulphonyl)imidazolidin-2-one

Work with 1-(Methylsulfonyl)-2-imidazolidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Acetyl-2-imidazolidinone5391-39-942 % similar 2-Oxo-1-imidazolidinecarbonyl chloride13214-53-438 % similar 1-(2-Hydroxyethyl)-2-imidazolidinone3699-54-537 % similar 1-(2-Aminoethyl)-2-imidazolidinone6281-42-136 % similar 3-(Methylsulfonyl)-2-oxo-1-imidazolidinecarbonyl chloride41762-76-934 % similar Carmustine154-93-832 % similar 1-Methanesulfonyl-piperazine55276-43-231 % similar (αS)-Tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic acid192725-50-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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