5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione

C10H14N4O6S — CID 69008366

IUPAC5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione
SMILESCC1(S(=O)(=O)C2(C)CNC(=O)NC2=O)CNC(=O)NC1=O
InChIInChI=1S/C10H14N4O6S/c1-9(3-11-7(17)13-5(9)15)21(19,20)10(2)4-12-8(18)14-6(10)16/h3-4H2,1-2H3,(H2,11,13,15,17)(H2,12,14,16,18)
InChIKeyAENWQFVHYSQQIO-UHFFFAOYSA-N
MW318.31 g/mol
LogP-2.40
Rot. Bonds2

About 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione

5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione (PubChem CID 69008366) has the molecular formula C10H14N4O6S and a molecular weight of 318.31 g/mol. Its IUPAC name is 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione
PubChem CID69008366
Molecular FormulaC10H14N4O6S
Molecular Weight318.31 g/mol
Exact Mass318.06
IUPAC Name5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione
SMILESCC1(S(=O)(=O)C2(C)CNC(=O)NC2=O)CNC(=O)NC1=O
InChIInChI=1S/C10H14N4O6S/c1-9(3-11-7(17)13-5(9)15)21(19,20)10(2)4-12-8(18)14-6(10)16/h3-4H2,1-2H3,(H2,11,13,15,17)(H2,12,14,16,18)
InChIKeyAENWQFVHYSQQIO-UHFFFAOYSA-N
XLogP-2.40
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione (CID 69008366) is 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione is CC1(S(=O)(=O)C2(C)CNC(=O)NC2=O)CNC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione?
The InChIKey is AENWQFVHYSQQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O6S/c1-9(3-11-7(17)13-5(9)15)21(19,20)10(2)4-12-8(18)14-6(10)16/h3-4H2,1-2H3,(H2,11,13,15,17)(H2,12,14,16,18).
What are the key properties of 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione?
5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione has a molecular weight of 318.31 g/mol, XLogP of -2.40, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 69008366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).