4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine

C12H18N2O4S2 — CID 3157920

IUPAC4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C12H18N2O4S2/c1-10-4-6-12(7-5-10)20(17,18)13-8-11(2)14(9-13)19(3,15)16/h4-7,11H,8-9H2,1-3H3
InChIKeyOBFGXCTYNODBOY-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.61
Rot. Bonds3

About 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine

4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine (PubChem CID 3157920) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
PubChem CID3157920
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C12H18N2O4S2/c1-10-4-6-12(7-5-10)20(17,18)13-8-11(2)14(9-13)19(3,15)16/h4-7,11H,8-9H2,1-3H3
InChIKeyOBFGXCTYNODBOY-UHFFFAOYSA-N
XLogP0.61
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine?
The IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine (CID 3157920) is 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine is Cc1ccc(S(=O)(=O)N2CC(C)N(S(C)(=O)=O)C2)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine?
The InChIKey is OBFGXCTYNODBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-10-4-6-12(7-5-10)20(17,18)13-8-11(2)14(9-13)19(3,15)16/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine?
4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine has a molecular weight of 318.42 g/mol, XLogP of 0.61, 3 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-methylsulfonylimidazolidine is sourced from PubChem (CID 3157920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).