2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one

C5H10N2O3S — CID 20681611

IUPAC2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one
SMILESCN1CCS(=O)(=O)N(C)C1=O
InChIInChI=1S/C5H10N2O3S/c1-6-3-4-11(9,10)7(2)5(6)8/h3-4H2,1-2H3
InChIKeyFJVVZGXJAUESPI-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.69
Rot. Bonds

About 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one

2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one (PubChem CID 20681611) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one
PubChem CID20681611
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one
SMILESCN1CCS(=O)(=O)N(C)C1=O
InChIInChI=1S/C5H10N2O3S/c1-6-3-4-11(9,10)7(2)5(6)8/h3-4H2,1-2H3
InChIKeyFJVVZGXJAUESPI-UHFFFAOYSA-N
XLogP-0.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one?
The IUPAC name of 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one (CID 20681611) is 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one.
What is the SMILES notation for 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one?
The canonical SMILES for 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one is CN1CCS(=O)(=O)N(C)C1=O.
What is the InChIKey of 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one?
The InChIKey is FJVVZGXJAUESPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-6-3-4-11(9,10)7(2)5(6)8/h3-4H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one?
2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one has a molecular weight of 178.21 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,1-dioxo-1,2,4-thiadiazinan-3-one is sourced from PubChem (CID 20681611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).