5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid

C8H16N2O4S — CID 165463685

IUPAC5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid
SMILESCC1NS(=O)(=O)N(C(C)C)CC1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-5(2)10-4-7(8(11)12)6(3)9-15(10,13)14/h5-7,9H,4H2,1-3H3,(H,11,12)
InChIKeyRKZHZLWKZBHWRJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.37
Rot. Bonds2

About 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid

5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid (PubChem CID 165463685) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid
PubChem CID165463685
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid
SMILESCC1NS(=O)(=O)N(C(C)C)CC1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-5(2)10-4-7(8(11)12)6(3)9-15(10,13)14/h5-7,9H,4H2,1-3H3,(H,11,12)
InChIKeyRKZHZLWKZBHWRJ-UHFFFAOYSA-N
XLogP-0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol
CID 149403844
2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 174934450
3-fluoro-1-methylpiperidine-4-carboxylic acid
CID 83854511
5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 83848024
(3S,4S)-1-(2-methylpropanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951080
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid
CID 126689000
(3S)-3,5-dimethylpiperazine-1-carboxylic acid
CID 175425054
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363
1-[(2S,3S,5S)-2,5-dimethylpyrrolidin-3-yl]ethanone
CID 102162628
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzoic acid
CID 69043064

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid?
The IUPAC name of 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid (CID 165463685) is 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid?
The canonical SMILES for 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid is CC1NS(=O)(=O)N(C(C)C)CC1C(=O)O.
What is the InChIKey of 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid?
The InChIKey is RKZHZLWKZBHWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-5(2)10-4-7(8(11)12)6(3)9-15(10,13)14/h5-7,9H,4H2,1-3H3,(H,11,12).
What are the key properties of 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid?
5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid is sourced from PubChem (CID 165463685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).