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

C14H22N2O4S2 — CID 3516044

IUPAC1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2C(C)C)cc1
InChIInChI=1S/C14H22N2O4S2/c1-11(2)14-15(21(4,17)18)9-10-16(14)22(19,20)13-7-5-12(3)6-8-13/h5-8,11,14H,9-10H2,1-4H3
InChIKeyPQMWWLVCOSTLTI-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.24
Rot. Bonds4

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

1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine (PubChem CID 3516044) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
PubChem CID3516044
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2C(C)C)cc1
InChIInChI=1S/C14H22N2O4S2/c1-11(2)14-15(21(4,17)18)9-10-16(14)22(19,20)13-7-5-12(3)6-8-13/h5-8,11,14H,9-10H2,1-4H3
InChIKeyPQMWWLVCOSTLTI-UHFFFAOYSA-N
XLogP1.24
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Tosyl-1,3,5-triazabicyclo[3.2.1]octane
CID 653810
1,3-Bis-(4-methylphenyl)sulfonylimidazolidine
CID 1354623
1-(p-Tosyl)-3,4,4-trimethylimidazolidine
CID 126588
Ditolamide
CID 208847
1-[(4-Methylphenyl)sulfonyl]-3-(methylsulfonyl)-2-phenylimidazolidine
CID 3680094
p-Toluenesulfonamide, N,N-diisobutyl-
CID 347533
1,3-Bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine
CID 2845056
1-(4-Methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
CID 3237602
2-Isopropyl-1,3-bis(phenylsulfonyl)imidazolidine
CID 3243141
1-[(4-Methylphenyl)sulfonyl]-3-(phenylsulfonyl)imidazolidine
CID 4049845
Pyrrolidin-1-yl(4-tosylpiperazin-1-yl)methanone
CID 849899
3-Methanesulfonyl-4-methyl-1-(toluene-4-sulfonyl)-imidazolidine
CID 3157920

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine (CID 3516044) is 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine is Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine?
The InChIKey is PQMWWLVCOSTLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-11(2)14-15(21(4,17)18)9-10-16(14)22(19,20)13-7-5-12(3)6-8-13/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine?
1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine has a molecular weight of 346.47 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine is sourced from PubChem (CID 3516044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).