1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione

C11H12N2O4S — CID 177010511

IUPAC1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione
SMILESCS(=O)(=O)c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C11H12N2O4S/c1-18(16,17)9-4-2-8(3-5-9)13-7-6-10(14)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,14,15)
InChIKeyDKWPBSXXQRDIKA-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.54
Rot. Bonds2

About 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione

1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 177010511) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione
PubChem CID177010511
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione
SMILESCS(=O)(=O)c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C11H12N2O4S/c1-18(16,17)9-4-2-8(3-5-9)13-7-6-10(14)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,14,15)
InChIKeyDKWPBSXXQRDIKA-UHFFFAOYSA-N
XLogP0.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
CID 156707562
1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462
4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 23023749
1-(4-methylsulfonylphenyl)diazinan-3-one
CID 15056523
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
CID 166947284
2-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]ethyl 4-methylbenzenesulfonate
CID 167151390
1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 176705840
1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406974
1-[4-[3-(dimethoxymethyl)azetidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 176705955
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 79777682
1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carbaldehyde
CID 163203491

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione (CID 177010511) is 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione is CS(=O)(=O)c1ccc(N2CCC(=O)NC2=O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is DKWPBSXXQRDIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-18(16,17)9-4-2-8(3-5-9)13-7-6-10(14)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,14,15).
What are the key properties of 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione?
1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 268.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177010511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).