5-methyl-1,1-dioxo-4H-thiazin-3-one

C5H7NO3S — CID 129064399

IUPAC5-methyl-1,1-dioxo-4H-thiazin-3-one
SMILESCC1=CS(=O)(=O)NC(=O)C1
InChIInChI=1S/C5H7NO3S/c1-4-2-5(7)6-10(8,9)3-4/h3H,2H2,1H3,(H,6,7)
InChIKeySIWDEAPDJPBZQZ-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.26
Rot. Bonds

About 5-methyl-1,1-dioxo-4H-thiazin-3-one

5-methyl-1,1-dioxo-4H-thiazin-3-one (PubChem CID 129064399) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is 5-methyl-1,1-dioxo-4H-thiazin-3-one.

Molecular Properties

Compound Name5-methyl-1,1-dioxo-4H-thiazin-3-one
PubChem CID129064399
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name5-methyl-1,1-dioxo-4H-thiazin-3-one
SMILESCC1=CS(=O)(=O)NC(=O)C1
InChIInChI=1S/C5H7NO3S/c1-4-2-5(7)6-10(8,9)3-4/h3H,2H2,1H3,(H,6,7)
InChIKeySIWDEAPDJPBZQZ-UHFFFAOYSA-N
XLogP-0.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,1-dioxo-4H-thiazin-3-one?
The IUPAC name of 5-methyl-1,1-dioxo-4H-thiazin-3-one (CID 129064399) is 5-methyl-1,1-dioxo-4H-thiazin-3-one.
What is the SMILES notation for 5-methyl-1,1-dioxo-4H-thiazin-3-one?
The canonical SMILES for 5-methyl-1,1-dioxo-4H-thiazin-3-one is CC1=CS(=O)(=O)NC(=O)C1.
What is the InChIKey of 5-methyl-1,1-dioxo-4H-thiazin-3-one?
The InChIKey is SIWDEAPDJPBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S/c1-4-2-5(7)6-10(8,9)3-4/h3H,2H2,1H3,(H,6,7).
What are the key properties of 5-methyl-1,1-dioxo-4H-thiazin-3-one?
5-methyl-1,1-dioxo-4H-thiazin-3-one has a molecular weight of 161.18 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,1-dioxo-4H-thiazin-3-one is sourced from PubChem (CID 129064399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).