1,1-dioxo-6H-thiazin-3-one

C4H5NO3S — CID 70287111

IUPAC1,1-dioxo-6H-thiazin-3-one
SMILESO=C1C=CCS(=O)(=O)N1
InChIInChI=1S/C4H5NO3S/c6-4-2-1-3-9(7,8)5-4/h1-2H,3H2,(H,5,6)
InChIKeyRYTGAEWNEHZFII-UHFFFAOYSA-N
MW147.16 g/mol
LogP-1.00
Rot. Bonds

About 1,1-dioxo-6H-thiazin-3-one

1,1-dioxo-6H-thiazin-3-one (PubChem CID 70287111) has the molecular formula C4H5NO3S and a molecular weight of 147.16 g/mol. Its IUPAC name is 1,1-dioxo-6H-thiazin-3-one.

Molecular Properties

Compound Name1,1-dioxo-6H-thiazin-3-one
PubChem CID70287111
Molecular FormulaC4H5NO3S
Molecular Weight147.16 g/mol
Exact Mass147.00
IUPAC Name1,1-dioxo-6H-thiazin-3-one
SMILESO=C1C=CCS(=O)(=O)N1
InChIInChI=1S/C4H5NO3S/c6-4-2-1-3-9(7,8)5-4/h1-2H,3H2,(H,5,6)
InChIKeyRYTGAEWNEHZFII-UHFFFAOYSA-N
XLogP-1.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(2,2,2-trifluoroethylsulfonyl)but-2-enamide
CID 155170692
1,1-Dioxothiazepin-3-one
CID 19980847
N-ethenylsulfonylprop-2-enamide
CID 20538721
6H-thiazin-3-one
CID 54024624
N-ethylsulfonylprop-2-enamide
CID 54369805
N-propylsulfonylprop-2-enamide
CID 56621006
(E)-N-methylsulfonylbut-2-enamide
CID 57811589
N-cyclopropylsulfonylprop-2-enamide
CID 68374963
N-methylsulfonylbut-2-enamide
CID 76618127
N-prop-2-enylsulfonylprop-2-enamide
CID 87345216
(E)-4-amino-4-oxobut-2-ene-1-sulfonic acid
CID 87656174
N-butan-2-ylsulfonylprop-2-enamide
CID 87846704

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-6H-thiazin-3-one?
The IUPAC name of 1,1-dioxo-6H-thiazin-3-one (CID 70287111) is 1,1-dioxo-6H-thiazin-3-one.
What is the SMILES notation for 1,1-dioxo-6H-thiazin-3-one?
The canonical SMILES for 1,1-dioxo-6H-thiazin-3-one is O=C1C=CCS(=O)(=O)N1.
What is the InChIKey of 1,1-dioxo-6H-thiazin-3-one?
The InChIKey is RYTGAEWNEHZFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3S/c6-4-2-1-3-9(7,8)5-4/h1-2H,3H2,(H,5,6).
What are the key properties of 1,1-dioxo-6H-thiazin-3-one?
1,1-dioxo-6H-thiazin-3-one has a molecular weight of 147.16 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-6H-thiazin-3-one is sourced from PubChem (CID 70287111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).