5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one

C6H11NO3S — CID 91618831

IUPAC5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one
SMILESCC1(C)CS(=O)(=O)CC(=O)N1
InChIInChI=1S/C6H11NO3S/c1-6(2)4-11(9,10)3-5(8)7-6/h3-4H2,1-2H3,(H,7,8)
InChIKeyQUHXNHNDTWIXIP-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.69
Rot. Bonds

About 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one

5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one (PubChem CID 91618831) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one.

Molecular Properties

Compound Name5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one
PubChem CID91618831
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one
SMILESCC1(C)CS(=O)(=O)CC(=O)N1
InChIInChI=1S/C6H11NO3S/c1-6(2)4-11(9,10)3-5(8)7-6/h3-4H2,1-2H3,(H,7,8)
InChIKeyQUHXNHNDTWIXIP-UHFFFAOYSA-N
XLogP-0.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
CID 21394477
1,1-dioxo-1,3-thiazolidin-4-one
CID 21436347
7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen
CID 143599230
1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one
CID 105445179
4,6,6-trimethyl-3-methylidene-1,4-thiazepane 1,1-dioxide
CID 163533328
(1,1,5-trioxo-1,4-thiazinan-3-yl) hydrogen carbonate
CID 67931092
8,8-dioxo-8λ6-thia-1-azaspiro[3.5]nonan-2-one
CID 64665977
2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one
CID 102737324
methyl 1,1,3-trioxo-1,4-thiazepane-5-carboxylate
CID 138039764
3,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-1,4-diazepane-2,5-dione
CID 64967860
tert-butyl 3,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-carboxylate;5,5-dimethylthiomorpholin-3-one
CID 161465916
5,5-dimethylpyrrolidine-2,4-dione
CID 13346709

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one?
The IUPAC name of 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one (CID 91618831) is 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one.
What is the SMILES notation for 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one?
The canonical SMILES for 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one is CC1(C)CS(=O)(=O)CC(=O)N1.
What is the InChIKey of 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one?
The InChIKey is QUHXNHNDTWIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-6(2)4-11(9,10)3-5(8)7-6/h3-4H2,1-2H3,(H,7,8).
What are the key properties of 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one?
5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one has a molecular weight of 177.22 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one is sourced from PubChem (CID 91618831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).