(4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one

C12H16N2O5S — CID 122390536

IUPAC(4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one
SMILESCO[C@@H]1NC(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1OC
InChIInChI=1S/C12H16N2O5S/c1-8-4-6-9(7-5-8)20(16,17)14-11(19-3)10(18-2)13-12(14)15/h4-7,10-11H,1-3H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyJITHFKVAUGDGHX-QWRGUYRKSA-N
MW300.34 g/mol
LogP0.65
Rot. Bonds4

About (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one

(4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one (PubChem CID 122390536) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one
PubChem CID122390536
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name(4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one
SMILESCO[C@@H]1NC(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1OC
InChIInChI=1S/C12H16N2O5S/c1-8-4-6-9(7-5-8)20(16,17)14-11(19-3)10(18-2)13-12(14)15/h4-7,10-11H,1-3H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyJITHFKVAUGDGHX-QWRGUYRKSA-N
XLogP0.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 135051669
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
(1S,4R)-2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 135042515
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
(4R,5S)-4-methoxy-5,7-dimethyl-6-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one
CID 122366009
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
CID 162400217
(1S,2R,6S)-2-methoxy-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 101370816
3-ethyl-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylazetidin-2-one
CID 19893286
(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one
CID 11265602
(1R,4S,7R)-7-methoxy-2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane
CID 124547473
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
methyl (2S,3aR)-1-(4-methylphenyl)sulfonyl-5-oxo-2,3,3a,4-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 11823867

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one?
The IUPAC name of (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one (CID 122390536) is (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one.
What is the SMILES notation for (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one?
The canonical SMILES for (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one is CO[C@@H]1NC(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1OC.
What is the InChIKey of (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one?
The InChIKey is JITHFKVAUGDGHX-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-8-4-6-9(7-5-8)20(16,17)14-11(19-3)10(18-2)13-12(14)15/h4-7,10-11H,1-3H3,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one?
(4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one has a molecular weight of 300.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dimethoxy-1-(4-methylphenyl)sulfonylimidazolidin-2-one is sourced from PubChem (CID 122390536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).