5-methyloxathiazolidine 2,2-dioxide

C3H7NO3S — CID 118588374

IUPAC5-methyloxathiazolidine 2,2-dioxide
SMILESCC1CNS(=O)(=O)O1
InChIInChI=1S/C3H7NO3S/c1-3-2-4-8(5,6)7-3/h3-4H,2H2,1H3
InChIKeyAPTRBXJTKKFZSW-UHFFFAOYSA-N
MW137.16 g/mol
LogP-0.76
Rot. Bonds

About 5-methyloxathiazolidine 2,2-dioxide

5-methyloxathiazolidine 2,2-dioxide (PubChem CID 118588374) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is 5-methyloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name5-methyloxathiazolidine 2,2-dioxide
PubChem CID118588374
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Name5-methyloxathiazolidine 2,2-dioxide
SMILESCC1CNS(=O)(=O)O1
InChIInChI=1S/C3H7NO3S/c1-3-2-4-8(5,6)7-3/h3-4H,2H2,1H3
InChIKeyAPTRBXJTKKFZSW-UHFFFAOYSA-N
XLogP-0.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyloxathiazolidine 2,2-dioxide?
The IUPAC name of 5-methyloxathiazolidine 2,2-dioxide (CID 118588374) is 5-methyloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 5-methyloxathiazolidine 2,2-dioxide?
The canonical SMILES for 5-methyloxathiazolidine 2,2-dioxide is CC1CNS(=O)(=O)O1.
What is the InChIKey of 5-methyloxathiazolidine 2,2-dioxide?
The InChIKey is APTRBXJTKKFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S/c1-3-2-4-8(5,6)7-3/h3-4H,2H2,1H3.
What are the key properties of 5-methyloxathiazolidine 2,2-dioxide?
5-methyloxathiazolidine 2,2-dioxide has a molecular weight of 137.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 118588374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).