5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione

C8H14N2O4S — CID 76886990

IUPAC5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(CCS(C)(=O)=O)C(=O)NC1=O
InChIInChI=1S/C8H14N2O4S/c1-6-5-10(3-4-15(2,13)14)8(12)9-7(6)11/h6H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyXKYOSEVODUYPOT-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.78
Rot. Bonds3

About 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione

5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione (PubChem CID 76886990) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione
PubChem CID76886990
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(CCS(C)(=O)=O)C(=O)NC1=O
InChIInChI=1S/C8H14N2O4S/c1-6-5-10(3-4-15(2,13)14)8(12)9-7(6)11/h6H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyXKYOSEVODUYPOT-UHFFFAOYSA-N
XLogP-0.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione (CID 76886990) is 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione is CC1CN(CCS(C)(=O)=O)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione?
The InChIKey is XKYOSEVODUYPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-6-5-10(3-4-15(2,13)14)8(12)9-7(6)11/h6H,3-5H2,1-2H3,(H,9,11,12).
What are the key properties of 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione?
5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione has a molecular weight of 234.28 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 76886990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).