1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione

C8H14N2O4S — CID 79778126

IUPAC1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione
SMILESCC(CS(C)(=O)=O)N1CCC(=O)NC1=O
InChIInChI=1S/C8H14N2O4S/c1-6(5-15(2,13)14)10-4-3-7(11)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyVGLZDEDKNTUKSZ-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.64
Rot. Bonds3

About 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione

1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione (PubChem CID 79778126) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione
PubChem CID79778126
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione
SMILESCC(CS(C)(=O)=O)N1CCC(=O)NC1=O
InChIInChI=1S/C8H14N2O4S/c1-6(5-15(2,13)14)10-4-3-7(11)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyVGLZDEDKNTUKSZ-UHFFFAOYSA-N
XLogP-0.64
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 ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione (CID 79778126) is 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione is CC(CS(C)(=O)=O)N1CCC(=O)NC1=O.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione?
The InChIKey is VGLZDEDKNTUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-6(5-15(2,13)14)10-4-3-7(11)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,11,12).
What are the key properties of 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione?
1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione has a molecular weight of 234.28 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79778126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).