1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine

C13H20N2O2S — CID 67120844

IUPAC1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)C2NCC(C)(C)N2C)cc1
InChIInChI=1S/C13H20N2O2S/c1-10-5-7-11(8-6-10)18(16,17)12-14-9-13(2,3)15(12)4/h5-8,12,14H,9H2,1-4H3
InChIKeyUNNWTAAFFCOTSP-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.37
Rot. Bonds2

About 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine

1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine (PubChem CID 67120844) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine.

Molecular Properties

Compound Name1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine
PubChem CID67120844
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)C2NCC(C)(C)N2C)cc1
InChIInChI=1S/C13H20N2O2S/c1-10-5-7-11(8-6-10)18(16,17)12-14-9-13(2,3)15(12)4/h5-8,12,14H,9H2,1-4H3
InChIKeyUNNWTAAFFCOTSP-UHFFFAOYSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-1-(4-methylphenyl)sulfonylpiperazine
CID 82251742
1-methyl-4-(4-methylphenyl)sulfonylpiperidine
CID 71189168
2-(4-methylphenyl)sulfonylpiperidine
CID 117036507
(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 4-methylbenzenesulfonate
CID 89268299
(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 15418142
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
1,4-diazabicyclo[2.2.2]octane;bis(4-methylbenzenesulfonic acid)
CID 131887991
4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one
CID 11033225
1-methyl-4-(4-methylcyclohexa-2,4-dien-1-yl)sulfonylbenzene
CID 13404328
[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 99999694
5,5-dimethyl-1-(4-methylphenyl)imidazolidin-2-one
CID 58845406
(4S)-4-hydroxy-5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-one
CID 101404102

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine?
The IUPAC name of 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine (CID 67120844) is 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine.
What is the SMILES notation for 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine?
The canonical SMILES for 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine is Cc1ccc(S(=O)(=O)C2NCC(C)(C)N2C)cc1.
What is the InChIKey of 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine?
The InChIKey is UNNWTAAFFCOTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-7-11(8-6-10)18(16,17)12-14-9-13(2,3)15(12)4/h5-8,12,14H,9H2,1-4H3.
What are the key properties of 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine?
1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine has a molecular weight of 268.38 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine is sourced from PubChem (CID 67120844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).