4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine

C15H24N2O4S2 — CID 17371171

IUPAC4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(S(C)(=O)=O)C2C(C)C)cc1
InChIInChI=1S/C15H24N2O4S2/c1-11(2)15-16(10-13(4)17(15)22(5,18)19)23(20,21)14-8-6-12(3)7-9-14/h6-9,11,13,15H,10H2,1-5H3
InChIKeyPQPJFIBFBOBCET-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.63
Rot. Bonds4

About 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine

4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine (PubChem CID 17371171) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
PubChem CID17371171
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(S(C)(=O)=O)C2C(C)C)cc1
InChIInChI=1S/C15H24N2O4S2/c1-11(2)15-16(10-13(4)17(15)22(5,18)19)23(20,21)14-8-6-12(3)7-9-14/h6-9,11,13,15H,10H2,1-5H3
InChIKeyPQPJFIBFBOBCET-UHFFFAOYSA-N
XLogP1.63
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone
CID 124805816
(2S,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,5-bis(2-methylpropyl)piperazine
CID 162409644
[5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582258
(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 16663486
(2R)-2-[(2S)-butan-2-yl]-1-(4-methylphenyl)sulfonylaziridine
CID 59088200
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine
CID 134927481
2-(4-methylphenyl)sulfonyl-3-propan-2-yl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 3628584
3-hydroxy-1-(4-methylphenyl)sulfonyl-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 69321115
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline
CID 17371195

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine?
The IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine (CID 17371171) is 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine is Cc1ccc(S(=O)(=O)N2CC(C)N(S(C)(=O)=O)C2C(C)C)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine?
The InChIKey is PQPJFIBFBOBCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-11(2)15-16(10-13(4)17(15)22(5,18)19)23(20,21)14-8-6-12(3)7-9-14/h6-9,11,13,15H,10H2,1-5H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine?
4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine has a molecular weight of 360.50 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine is sourced from PubChem (CID 17371171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).