7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one

C10H11NO3S — CID 143347570

IUPAC7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one
SMILESCC1C=CC2=C(C=C1)S(=O)(=O)CC(=O)N2
InChIInChI=1S/C10H11NO3S/c1-7-2-4-8-9(5-3-7)15(13,14)6-10(12)11-8/h2-5,7H,6H2,1H3,(H,11,12)
InChIKeyIBEQTSJKZPGKSS-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.50
Rot. Bonds

About 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one

7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one (PubChem CID 143347570) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one.

Molecular Properties

Compound Name7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one
PubChem CID143347570
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one
SMILESCC1C=CC2=C(C=C1)S(=O)(=O)CC(=O)N2
InChIInChI=1S/C10H11NO3S/c1-7-2-4-8-9(5-3-7)15(13,14)6-10(12)11-8/h2-5,7H,6H2,1H3,(H,11,12)
InChIKeyIBEQTSJKZPGKSS-UHFFFAOYSA-N
XLogP0.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one?
The IUPAC name of 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one (CID 143347570) is 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one.
What is the SMILES notation for 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one?
The canonical SMILES for 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one is CC1C=CC2=C(C=C1)S(=O)(=O)CC(=O)N2.
What is the InChIKey of 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one?
The InChIKey is IBEQTSJKZPGKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-7-2-4-8-9(5-3-7)15(13,14)6-10(12)11-8/h2-5,7H,6H2,1H3,(H,11,12).
What are the key properties of 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one?
7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one has a molecular weight of 225.27 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,1-dioxo-4,7-dihydrocyclohepta[b][1,4]thiazin-3-one is sourced from PubChem (CID 143347570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).