5-methyl-1,2,5-oxathiazinane 2,2-dioxide

C4H9NO3S — CID 89251584

IUPAC5-methyl-1,2,5-oxathiazinane 2,2-dioxide
SMILESCN1CCS(=O)(=O)OC1
InChIInChI=1S/C4H9NO3S/c1-5-2-3-9(6,7)8-4-5/h2-4H2,1H3
InChIKeyOFYUCBZPSZYXKP-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.76
Rot. Bonds

About 5-methyl-1,2,5-oxathiazinane 2,2-dioxide

5-methyl-1,2,5-oxathiazinane 2,2-dioxide (PubChem CID 89251584) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 5-methyl-1,2,5-oxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name5-methyl-1,2,5-oxathiazinane 2,2-dioxide
PubChem CID89251584
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name5-methyl-1,2,5-oxathiazinane 2,2-dioxide
SMILESCN1CCS(=O)(=O)OC1
InChIInChI=1S/C4H9NO3S/c1-5-2-3-9(6,7)8-4-5/h2-4H2,1H3
InChIKeyOFYUCBZPSZYXKP-UHFFFAOYSA-N
XLogP-0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

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4-deuteriooxathiane 2,2-dioxide
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CID 91574741
1,4-dimethylpiperazine;ethane
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,5-oxathiazinane 2,2-dioxide?
The IUPAC name of 5-methyl-1,2,5-oxathiazinane 2,2-dioxide (CID 89251584) is 5-methyl-1,2,5-oxathiazinane 2,2-dioxide.
What is the SMILES notation for 5-methyl-1,2,5-oxathiazinane 2,2-dioxide?
The canonical SMILES for 5-methyl-1,2,5-oxathiazinane 2,2-dioxide is CN1CCS(=O)(=O)OC1.
What is the InChIKey of 5-methyl-1,2,5-oxathiazinane 2,2-dioxide?
The InChIKey is OFYUCBZPSZYXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-5-2-3-9(6,7)8-4-5/h2-4H2,1H3.
What are the key properties of 5-methyl-1,2,5-oxathiazinane 2,2-dioxide?
5-methyl-1,2,5-oxathiazinane 2,2-dioxide has a molecular weight of 151.19 g/mol, XLogP of -0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,5-oxathiazinane 2,2-dioxide is sourced from PubChem (CID 89251584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).