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

C10H16N2O4S — CID 79776991

IUPAC1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(C2CCS(=O)(=O)CC2)C(=O)NC1=O
InChIInChI=1S/C10H16N2O4S/c1-7-6-12(10(14)11-9(7)13)8-2-4-17(15,16)5-3-8/h7-8H,2-6H2,1H3,(H,11,13,14)
InChIKeyZNYLYCKSWNVGGO-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.25
Rot. Bonds1

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

1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 79776991) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID79776991
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(C2CCS(=O)(=O)CC2)C(=O)NC1=O
InChIInChI=1S/C10H16N2O4S/c1-7-6-12(10(14)11-9(7)13)8-2-4-17(15,16)5-3-8/h7-8H,2-6H2,1H3,(H,11,13,14)
InChIKeyZNYLYCKSWNVGGO-UHFFFAOYSA-N
XLogP-0.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione (CID 79776991) is 1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione is CC1CN(C2CCS(=O)(=O)CC2)C(=O)NC1=O.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is ZNYLYCKSWNVGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-7-6-12(10(14)11-9(7)13)8-2-4-17(15,16)5-3-8/h7-8H,2-6H2,1H3,(H,11,13,14).
What are the key properties of 1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione?
1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 260.31 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79776991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).