4-propyloxathiazinane 2,2-dioxide

C6H13NO3S — CID 91844916

IUPAC4-propyloxathiazinane 2,2-dioxide
SMILESCCCC1CCOS(=O)(=O)N1
InChIInChI=1S/C6H13NO3S/c1-2-3-6-4-5-10-11(8,9)7-6/h6-7H,2-5H2,1H3
InChIKeyRPJSQSPCFHKOHG-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.41
Rot. Bonds2

About 4-propyloxathiazinane 2,2-dioxide

4-propyloxathiazinane 2,2-dioxide (PubChem CID 91844916) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-propyloxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name4-propyloxathiazinane 2,2-dioxide
PubChem CID91844916
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name4-propyloxathiazinane 2,2-dioxide
SMILESCCCC1CCOS(=O)(=O)N1
InChIInChI=1S/C6H13NO3S/c1-2-3-6-4-5-10-11(8,9)7-6/h6-7H,2-5H2,1H3
InChIKeyRPJSQSPCFHKOHG-UHFFFAOYSA-N
XLogP0.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyloxathiazinane 2,2-dioxide?
The IUPAC name of 4-propyloxathiazinane 2,2-dioxide (CID 91844916) is 4-propyloxathiazinane 2,2-dioxide.
What is the SMILES notation for 4-propyloxathiazinane 2,2-dioxide?
The canonical SMILES for 4-propyloxathiazinane 2,2-dioxide is CCCC1CCOS(=O)(=O)N1.
What is the InChIKey of 4-propyloxathiazinane 2,2-dioxide?
The InChIKey is RPJSQSPCFHKOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-3-6-4-5-10-11(8,9)7-6/h6-7H,2-5H2,1H3.
What are the key properties of 4-propyloxathiazinane 2,2-dioxide?
4-propyloxathiazinane 2,2-dioxide has a molecular weight of 179.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyloxathiazinane 2,2-dioxide is sourced from PubChem (CID 91844916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).