3,6-dimethyloxathiazinane 2,2-dioxide

C5H11NO3S — CID 20676245

IUPAC3,6-dimethyloxathiazinane 2,2-dioxide
SMILESCC1CCN(C)S(=O)(=O)O1
InChIInChI=1S/C5H11NO3S/c1-5-3-4-6(2)10(7,8)9-5/h5H,3-4H2,1-2H3
InChIKeyUBKTZLBKAMAMQQ-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.03
Rot. Bonds

About 3,6-dimethyloxathiazinane 2,2-dioxide

3,6-dimethyloxathiazinane 2,2-dioxide (PubChem CID 20676245) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 3,6-dimethyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name3,6-dimethyloxathiazinane 2,2-dioxide
PubChem CID20676245
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name3,6-dimethyloxathiazinane 2,2-dioxide
SMILESCC1CCN(C)S(=O)(=O)O1
InChIInChI=1S/C5H11NO3S/c1-5-3-4-6(2)10(7,8)9-5/h5H,3-4H2,1-2H3
InChIKeyUBKTZLBKAMAMQQ-UHFFFAOYSA-N
XLogP-0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyloxathiazinane 2,2-dioxide?
The IUPAC name of 3,6-dimethyloxathiazinane 2,2-dioxide (CID 20676245) is 3,6-dimethyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 3,6-dimethyloxathiazinane 2,2-dioxide?
The canonical SMILES for 3,6-dimethyloxathiazinane 2,2-dioxide is CC1CCN(C)S(=O)(=O)O1.
What is the InChIKey of 3,6-dimethyloxathiazinane 2,2-dioxide?
The InChIKey is UBKTZLBKAMAMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-5-3-4-6(2)10(7,8)9-5/h5H,3-4H2,1-2H3.
What are the key properties of 3,6-dimethyloxathiazinane 2,2-dioxide?
3,6-dimethyloxathiazinane 2,2-dioxide has a molecular weight of 165.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 20676245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).